69440110 -OEChem-05072416042D 67 71 0 0 0 0 0 0 0999 V2000 7.5221 -4.5037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6116 -1.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5309 0.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 -2.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2364 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9473 1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5471 3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 4.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5309 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.3474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 -3.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 -3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -4.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 1.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5309 0.8474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0309 -0.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 2.4748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8502 2.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0432 3.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 2.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 3.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9296 4.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8802 4.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 4.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4056 4.8313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6480 5.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6405 -1.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8048 -0.6158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4931 -2.7215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8998 -2.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8503 -2.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -3.6390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5725 -4.2473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 -3.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -4.3848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -4.9171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3409 2.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 -0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5678 0.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 22 2 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 33 1 0 0 0 0 4 64 1 0 0 0 0 5 33 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 22 1 0 0 0 0 7 27 1 0 0 0 0 7 28 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 36 1 0 0 0 0 9 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 13 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 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 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 24 2 0 0 0 0 20 49 1 0 0 0 0 21 23 2 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 33 1 0 0 0 0 24 51 1 0 0 0 0 25 31 1 0 0 0 0 25 52 1 0 0 0 0 26 32 2 0 0 0 0 26 53 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 34 2 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END > 69440110 > 1 > 727 > 5 > 1 > 6 > AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB9AAAHgAACAAADQzhngYyzvMMFgCoAyXyXACCiCAlIiAI2CG+bNgOZvLEtbuXcShkxhHY+Ye82POO4AAAQAACAADAAACAAAQAAAAAAAAAAA== > 3-cyclohexyl-2-(4-methoxyphenyl)-1-(2-morpholino-2-oxo-ethyl)indole-6-carboxylic acid > 3-cyclohexyl-2-(4-methoxyphenyl)-1-[2-(4-morpholinyl)-2-oxoethyl]-6-indolecarboxylic acid > 3-cyclohexyl-2-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid > 3-cyclohexyl-2-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)indole-6-carboxylic acid > 3-cyclohexyl-2-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)indole-6-carboxylic acid > 3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)-2-(4-methoxyphenyl)indole-6-carboxylic acid > InChI=1S/C28H32N2O5/c1-34-22-10-7-20(8-11-22)27-26(19-5-3-2-4-6-19)23-12-9-21(28(32)33)17-24(23)30(27)18-25(31)29-13-15-35-16-14-29/h7-12,17,19H,2-6,13-16,18H2,1H3,(H,32,33) > GTKUGPCXPSPPGI-UHFFFAOYSA-N > 4.9 > 476.23112213 > C28H32N2O5 > 476.6 > COC1=CC=C(C=C1)C2=C(C3=C(N2CC(=O)N4CCOCC4)C=C(C=C3)C(=O)O)C5CCCCC5 > COC1=CC=C(C=C1)C2=C(C3=C(N2CC(=O)N4CCOCC4)C=C(C=C3)C(=O)O)C5CCCCC5 > 81 > 476.23112213 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 15 8 11 16 8 16 17 8 16 20 8 17 21 8 19 25 8 19 26 8 20 24 8 21 23 8 23 24 8 25 31 8 26 32 8 31 34 8 32 34 8 6 15 8 6 17 8 $$$$