67853008 -OEChem-04232406042D 69 72 0 1 0 0 0 0 0999 V2000 8.9030 1.6935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -4.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -3.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.6418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9674 -2.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.3862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -3.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -4.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 -4.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2136 2.6441 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5458 3.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 0.3306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8564 4.3389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1921 2.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 1.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 2.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 5.0832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5028 3.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 2.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4813 4.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8385 2.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1491 3.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -2.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5812 -2.7607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -2.8982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7742 -3.6782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6643 -3.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -4.4182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 -4.5293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 -4.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 -4.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 2.1826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9988 3.6804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 2.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4034 4.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2390 4.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4427 -0.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8640 2.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0279 0.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4492 2.8209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6501 5.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7745 5.5446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7271 4.6691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0887 4.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6674 1.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 -5.0832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6739 4.5963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2525 1.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7558 3.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 17 2 0 0 0 0 3 20 1 0 0 0 0 3 66 1 0 0 0 0 4 20 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 6 37 1 0 0 0 0 7 13 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 14 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 17 1 0 0 0 0 13 20 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 16 19 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 29 1 0 0 0 0 24 57 1 0 0 0 0 25 30 2 0 0 0 0 25 58 1 0 0 0 0 26 31 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 36 2 0 0 0 0 34 67 1 0 0 0 0 35 36 1 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 M END > 67853008 > 1 > 697 > 4 > 1 > 12 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAACAAADDzhngY+zvMMFgCoA7T3TACCiCA1IiAI2CE+bNgMJvrEtZuGeajkwBHI6ce8zODOoAAAAAACAABAAAAAAAQAAAAAAAAAAA== > (4R)-4-[3-[4-(1-phenylbutoxy)benzoyl]indol-1-yl]hexanoic acid > (4R)-4-[3-[oxo-[4-(1-phenylbutoxy)phenyl]methyl]-1-indolyl]hexanoic acid > (4R)-4-[3-[4-(1-phenylbutoxy)benzoyl]indol-1-yl]hexanoic acid > (4R)-4-[3-[4-(1-phenylbutoxy)benzoyl]indol-1-yl]hexanoic acid > (4R)-4-[3-[4-(1-phenylbutoxy)phenyl]carbonylindol-1-yl]hexanoic acid > (4R)-4-[3-[4-(1-phenylbutoxy)benzoyl]indol-1-yl]hexanoic acid > InChI=1S/C31H33NO4/c1-3-10-29(22-11-6-5-7-12-22)36-25-18-15-23(16-19-25)31(35)27-21-32(24(4-2)17-20-30(33)34)28-14-9-8-13-26(27)28/h5-9,11-16,18-19,21,24,29H,3-4,10,17,20H2,1-2H3,(H,33,34)/t24-,29?/m1/s1 > UXHIPDGZAQHSAO-OEXUWWALSA-N > 6.8 > 483.24095853 > C31H33NO4 > 483.6 > CCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CN(C4=CC=CC=C43)C(CC)CCC(=O)O > CCCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(=O)C3=CN(C4=CC=CC=C43)[C@H](CC)CCC(=O)O > 68.5 > 483.24095853 > 0 > 36 > 1 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 16 8 11 12 8 15 18 8 16 19 8 18 19 8 21 24 8 21 25 8 22 23 3 24 29 8 25 30 8 27 32 8 27 33 8 28 29 8 28 30 8 32 34 8 33 35 8 34 36 8 35 36 8 5 11 8 5 9 8 6 7 5 9 10 8 9 15 8 $$$$