54758491 -OEChem-04262407392D 113115 0 1 0 0 0 0 0999 V2000 0.0000 3.6800 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 11.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 13.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 13.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 16.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 15.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 3.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 6.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 6.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 8.6800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 7.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 8.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.6800 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4641 9.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 10.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3301 4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 5.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 5.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 4.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 11.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 12.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 10.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 12.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 9.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 11.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 14.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 12.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 15.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7404 13.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 13.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 5.1200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.6002 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 7.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 6.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 6.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 7.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 8.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 8.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 8.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 8.7626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2520 10.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 9.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5422 9.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9407 10.2877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 6.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3291 5.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 5.4900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5991 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4082 11.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8067 11.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 10.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8185 10.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2170 11.1577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1204 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 8.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3604 9.5500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1844 11.5869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3374 11.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5643 10.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0622 13.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 12.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 12.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6064 15.6700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 13.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 13.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0504 16.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 15.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4304 15.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0094 16.8600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8122 3.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 4.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6782 5.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0768 5.7277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 6.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1371 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0031 6.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 2.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4460 1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 21 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 90 1 0 0 0 0 4 33 2 0 0 0 0 5 46 1 0 0 0 0 5 99 1 0 0 0 0 6 46 2 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 47 1 0 0 0 0 8106 1 0 0 0 0 9 49 1 0 0 0 0 9110 1 0 0 0 0 10 51 1 0 0 0 0 10 56 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 57 1 0 0 0 0 13 58 1 0 0 0 0 14 16 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 65 1 0 0 0 0 18 21 1 0 0 0 0 18 66 1 0 0 0 0 18 67 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 68 1 0 0 0 0 21 69 1 0 0 0 0 22 26 1 0 0 0 0 22 70 1 0 0 0 0 23 27 2 0 0 0 0 23 71 1 0 0 0 0 24 28 1 0 0 0 0 24 72 1 0 0 0 0 25 29 2 0 0 0 0 25 73 1 0 0 0 0 26 30 2 0 0 0 0 26 74 1 0 0 0 0 27 30 1 0 0 0 0 27 75 1 0 0 0 0 28 31 2 0 0 0 0 28 76 1 0 0 0 0 29 31 1 0 0 0 0 29 77 1 0 0 0 0 31 78 1 0 0 0 0 32 33 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34 38 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 82 1 0 0 0 0 35 83 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 84 1 0 0 0 0 37 85 1 0 0 0 0 37 86 1 0 0 0 0 38 87 1 0 0 0 0 38 88 1 0 0 0 0 38 89 1 0 0 0 0 39 42 1 0 0 0 0 39 43 2 0 0 0 0 39 44 1 0 0 0 0 40 43 1 0 0 0 0 40 91 1 0 0 0 0 41 44 2 0 0 0 0 41 92 1 0 0 0 0 42 45 1 0 0 0 0 42 46 1 0 0 0 0 42 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 45 96 1 0 0 0 0 45 97 1 0 0 0 0 45 98 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 47100 1 0 0 0 0 48101 1 0 0 0 0 48102 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 51 53 2 0 0 0 0 52 54 1 0 0 0 0 52105 1 0 0 0 0 53 55 1 0 0 0 0 53107 1 0 0 0 0 54 55 2 0 0 0 0 54108 1 0 0 0 0 55109 1 0 0 0 0 56111 1 0 0 0 0 56112 1 0 0 0 0 56113 1 0 0 0 0 M END > 54758491 > 1 > 796 > 11 > 4 > 17 > AAADcfB/PAAEAAAAAAAAAAAAAAAAAAAAAAA8YMGCAAAAAAABVAAAHgIACAAADT7hmCYyDoMABgCIAiDSCAKCCAAgJQAIiAFOjogPdjKFtx+XeCrlwBGbqAeYyOCOxAAAAAAAQACIAAAAAACAAAAAAAAAAA== > 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid;2-(4-isobutylphenyl)propanoic acid;3-(2-methoxyphenoxy)propane-1,2-diol > 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethoxy]acetic acid;3-(2-methoxyphenoxy)propane-1,2-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;3-(2-methoxyphenoxy)propane-1,2-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]acetic acid;3-(2-methoxyphenoxy)propane-1,2-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanoic acid;3-(2-methoxyphenoxy)propane-1,2-diol;2-[4-(2-methylpropyl)phenyl]propanoic acid > 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethoxy]acetic acid;2-(4-isobutylphenyl)propionic acid;3-(2-methoxyphenoxy)propane-1,2-diol > InChI=1S/C21H25ClN2O3.C13H18O2.C10H14O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h1-9,21H,10-16H2,(H,25,26);4-7,9-10H,8H2,1-3H3,(H,14,15);2-5,8,11-12H,6-7H2,1H3 > KUDRHOVNPMNVBC-UHFFFAOYSA-N > 792.3752591 > C44H57ClN2O9 > 793.4 > CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.COC1=CC=CC=C1OCC(CO)O.C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl > CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.COC1=CC=CC=C1OCC(CO)O.C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl > 149 > 792.3752591 > 0 > 56 > 0 > 3 > 0 > 0 > 0 > 3 > -1 > 1 5 255 > 17 20 3 19 22 8 19 23 8 20 24 8 20 25 8 22 26 8 23 27 8 24 28 8 25 29 8 26 30 8 27 30 8 28 31 8 29 31 8 36 40 8 36 41 8 39 43 8 39 44 8 40 43 8 41 44 8 42 45 3 50 51 8 50 52 8 51 53 8 52 54 8 53 55 8 54 55 8 47 8 3 $$$$