39503 -OEChem-05042418362D 92 95 0 1 0 0 0 0 0999 V2000 10.7262 -3.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 -0.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2459 -0.4705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 0.0442 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.4204 3.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7262 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5023 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7102 -0.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5103 -0.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 -3.5492 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3282 -3.0526 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8602 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -3.0459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0923 -3.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -3.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -1.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9663 -3.5598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0602 -2.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6044 1.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 -2.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5961 -3.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4320 4.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5487 2.5494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5718 4.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6885 3.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 4.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 2.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1176 0.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -3.0659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4685 1.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3325 2.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7068 -2.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -1.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4922 0.0968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1010 -0.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1203 -0.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7238 0.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6604 -3.8613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7900 -2.7446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5553 -4.2011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4023 -4.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6292 -3.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -3.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2123 -3.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5923 -2.4051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9734 -4.1797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0674 -4.0324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 -4.0293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5245 -1.6922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5800 -4.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2024 -5.1692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -4.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3901 1.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 0.9342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9443 -2.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3219 -1.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7043 -2.0550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9928 -2.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -2.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 3.9245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6507 4.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1447 2.0791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 2.0698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9758 5.0195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1788 5.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 3.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4697 2.4792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 4.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0883 3.9587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 2.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4994 3.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3353 -4.0391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 -4.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 1.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0502 0.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7385 0.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 1.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2608 -2.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4637 -2.5925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -3.0335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.8813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -4.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8683 2.3629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 2 36 1 0 0 0 0 3 36 2 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 24 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 13 47 1 0 0 0 0 14 21 1 0 0 0 0 14 25 1 0 0 0 0 14 48 1 0 0 0 0 15 20 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 22 2 0 0 0 0 20 55 1 0 0 0 0 21 26 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 38 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 26 33 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 27 29 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 30 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 29 31 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 31 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 32 34 1 0 0 0 0 32 79 1 0 0 0 0 32 80 1 0 0 0 0 33 37 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 1 0 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 36 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 37 39 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 40 3 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 M END > 39503 > 1 > 911 > 5 > 0 > 13 > AAADcfB/MAAAAAAAAAAAAAAAAAAAAAAAAAA8QIEAAAAAAACxAAAAHgAAAAAADUTBmAQyDoMABADIGiDSCACCCAAgIAAAiAEOCIgMJzKEsRuGOiClwBWIqAe04PwOwAABCAAIAACAAAIQABAAAAAAAAAAAA== > [8-(1,2-dimethylheptyl)-5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-(1-piperidyl)butanoate > 4-(1-piperidinyl)butanoic acid [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-[1]benzopyrano[4,3-c]pyridin-10-yl] ester > [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate > [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate > [5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate > 4-piperidinobutyric acid [8-(1,2-dimethylheptyl)-5,5-dimethyl-2-propargyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] ester > InChI=1S/C35H52N2O3/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3 > MCVPMHDADNVRKF-UHFFFAOYSA-N > 6.9 > 548.39779352 > C35H52N2O3 > 548.8 > CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCC4 > CCCCCC(C)C(C)C1=CC2=C(C3=C(CCN(C3)CC#C)C(O2)(C)C)C(=C1)OC(=O)CCCN4CCCCC4 > 42 > 548.39779352 > 0 > 40 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 19 8 13 23 3 14 25 3 15 20 8 16 20 8 16 22 8 19 22 8 $$$$