70013282 -OEChem-04242419312D 64 68 0 0 0 0 0 0 0999 V2000 7.3239 4.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 0.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 -1.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 -5.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -1.2312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6130 5.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3574 6.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4068 6.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3024 4.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0132 3.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 0.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 1.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -2.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0347 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6811 2.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3704 1.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6648 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0347 -3.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7455 -2.7198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3669 -4.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0777 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3884 -4.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0097 -6.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 4.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 5.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6494 6.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4942 6.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7872 6.2951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 3.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9162 4.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7744 -2.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9388 -1.8897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6207 3.4851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 2.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1174 1.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7845 1.0736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 1.4659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 2.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 2.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 1.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6414 -4.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 -2.1304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4710 -3.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7848 0.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 -4.8760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 -5.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5956 -6.7771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4712 -6.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 25 1 0 0 0 0 2 58 1 0 0 0 0 3 28 1 0 0 0 0 3 60 1 0 0 0 0 4 28 2 0 0 0 0 5 32 1 0 0 0 0 5 35 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 23 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 24 1 0 0 0 0 17 25 2 0 0 0 0 18 27 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 52 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > 70013282 > 1 > 705 > 5 > 2 > 9 > AAADceB6OAAAAAAAAAAAAAAAGAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADQzhngYyzvMMFgCoAyTyTASCiCAnIiAI2CG+bNgOJvLGtbuGeSjkwBHY+Qe42fOeoEABQAAaAABAgAKAADQAAAAAAAAAAA== > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-5-hydroxy-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-5-hydroxy-1-[(3-methoxyphenyl)methyl]-2-indolecarboxylic acid > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-5-hydroxy-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-5-hydroxy-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-1-[(3-methoxyphenyl)methyl]-5-oxidanyl-indole-2-carboxylic acid > 3-[4-(cyclopropylmethoxy)phenyl]-4-ethyl-5-hydroxy-1-m-anisyl-indole-2-carboxylic acid > InChI=1S/C29H29NO5/c1-3-23-25(31)14-13-24-27(23)26(20-9-11-21(12-10-20)35-17-18-7-8-18)28(29(32)33)30(24)16-19-5-4-6-22(15-19)34-2/h4-6,9-15,18,31H,3,7-8,16-17H2,1-2H3,(H,32,33) > QPHOFOXQAONCJG-UHFFFAOYSA-N > 6.2 > 471.20457303 > C29H29NO5 > 471.5 > CCC1=C(C=CC2=C1C(=C(N2CC3=CC(=CC=C3)OC)C(=O)O)C4=CC=C(C=C4)OCC5CC5)O > CCC1=C(C=CC2=C1C(=C(N2CC3=CC(=CC=C3)OC)C(=O)O)C4=CC=C(C=C4)OCC5CC5)O > 80.9 > 471.20457303 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 19 8 11 20 8 12 13 8 12 14 8 12 17 8 13 15 8 14 23 8 16 21 8 16 22 8 17 25 8 19 21 8 20 22 8 23 26 8 25 26 8 27 30 8 27 31 8 30 32 8 31 33 8 32 34 8 33 34 8 6 14 8 6 15 8 $$$$