69919507 -OEChem-05112418472D 82 86 0 1 0 0 0 0 0999 V2000 10.3916 2.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 -1.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -3.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 -1.1789 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6808 3.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6313 3.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4251 4.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7023 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4131 2.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8133 0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1024 1.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 1.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3969 -0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7453 3.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 -2.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 2.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6258 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0010 -1.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 3.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3969 -0.3742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 -2.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4776 -2.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7668 -3.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8098 -3.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 -4.5686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1204 -4.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 3.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 -2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -3.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6473 3.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5440 2.9763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2510 3.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0003 4.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0974 5.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6817 4.3142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 3.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5165 1.1258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9379 3.8714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.2458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5065 -2.6174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6709 -1.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8494 1.9975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 3.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.2084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -2.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3734 -3.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -5.1579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4795 -1.0282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7892 -0.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7063 -4.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 4.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 3.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 3.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 3.9358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 4.1627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -2.4163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7069 -2.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9338 -1.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 -3.5359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7493 -4.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -4.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 28 1 0 0 0 0 2 38 1 0 0 0 0 3 28 2 0 0 0 0 4 31 1 0 0 0 0 4 70 1 0 0 0 0 5 31 2 0 0 0 0 6 35 1 0 0 0 0 6 43 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 17 2 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 51 1 0 0 0 0 16 23 1 0 0 0 0 17 25 1 0 0 0 0 18 28 1 0 0 0 0 19 26 1 0 0 0 0 19 52 1 0 0 0 0 20 21 2 0 0 0 0 20 53 1 0 0 0 0 21 24 1 0 0 0 0 21 27 1 0 0 0 0 22 30 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 26 2 0 0 0 0 23 57 1 0 0 0 0 24 29 1 0 0 0 0 24 31 1 0 0 0 0 24 56 1 0 0 0 0 25 27 2 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 60 1 0 0 0 0 29 32 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 32 36 2 0 0 0 0 32 63 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 37 2 0 0 0 0 34 65 1 0 0 0 0 35 39 2 0 0 0 0 36 40 1 0 0 0 0 36 41 1 0 0 0 0 37 39 1 0 0 0 0 37 66 1 0 0 0 0 38 42 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 40 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 41 74 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 42 79 1 0 0 0 0 43 80 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 M END > 69919507 > 1 > 959 > 6 > 1 > 14 > AAADcfB+OAAAAAAAAAAAAAAAGAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADQzhngYyzvMMFgCoAyTyTASCiCAnIiAI2CG+bNgOJvLEtbuHeSjkwBHY6Qe42fOeiAADAAACAAAQAAYAAAQAAAAAAAAAAA== > 2-[3-[3-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]-5-methyl-hex-4-enoic acid > 2-[3-[3-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]-5-indolyl]-5-methyl-4-hexenoic acid > 2-[3-[3-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]-5-methylhex-4-enoic acid > 2-[3-[3-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]-5-methylhex-4-enoic acid > 2-[3-[3-(cyclopropylmethoxy)phenyl]-2-ethoxycarbonyl-1-[(3-methoxyphenyl)methyl]indol-5-yl]-5-methyl-hex-4-enoic acid > 2-[2-carbethoxy-3-[3-(cyclopropylmethoxy)phenyl]-1-m-anisyl-indol-5-yl]-5-methyl-hex-4-enoic acid > InChI=1S/C36H39NO6/c1-5-42-36(40)34-33(27-9-7-11-29(19-27)43-22-24-13-14-24)31-20-26(30(35(38)39)16-12-23(2)3)15-17-32(31)37(34)21-25-8-6-10-28(18-25)41-4/h6-12,15,17-20,24,30H,5,13-14,16,21-22H2,1-4H3,(H,38,39) > BFXKQRXXYUANKE-UHFFFAOYSA-N > 7.9 > 581.27773796 > C36H39NO6 > 581.7 > CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)C(CC=C(C)C)C(=O)O)C4=CC(=CC=C4)OCC5CC5 > CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C=CC(=C2)C(CC=C(C)C)C(=O)O)C4=CC(=CC=C4)OCC5CC5 > 87 > 581.27773796 > 0 > 43 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 15 8 12 19 8 13 14 8 13 18 8 14 17 8 14 20 8 15 16 8 16 23 8 17 25 8 19 26 8 20 21 8 21 27 8 23 26 8 24 29 3 25 27 8 30 33 8 30 34 8 33 35 8 34 37 8 35 39 8 37 39 8 7 17 8 7 18 8 $$$$