4329551 -OEChem-03292403252D 55 57 0 1 0 0 0 0 0999 V2000 14.6001 -0.4162 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9661 -1.7822 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.6001 -2.1482 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 0.2524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -3.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 2.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 -1.2822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 2.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2340 -0.7822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -2.2822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 -2.7822 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -2.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 -2.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5459 -2.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6398 -1.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 0.7624 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6398 -2.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8255 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7088 1.7623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5020 -2.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5020 -0.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3680 -2.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3680 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 3.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1001 -1.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6394 -3.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4364 -3.2572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7088 -0.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 -3.4368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -0.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 0.1424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 -2.6151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 0.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2850 -0.0313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1293 -0.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 -3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0990 -0.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5020 -3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5020 -0.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9049 -2.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 3.1575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 3.8523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 4.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 4.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 3.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 34 1 0 0 0 0 2 34 1 0 0 0 0 3 34 1 0 0 0 0 4 15 1 0 0 0 0 4 21 1 0 0 0 0 5 14 2 0 0 0 0 6 25 1 0 0 0 0 6 32 1 0 0 0 0 7 23 2 0 0 0 0 8 25 2 0 0 0 0 9 31 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 11 23 1 0 0 0 0 11 26 1 0 0 0 0 11 46 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 15 20 2 0 0 0 0 16 23 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 22 2 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 24 1 0 0 0 0 21 25 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 31 2 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 M END > 4329551 > 1 > 766 > 9 > 1 > 9 > AAADceB7OYAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHwAQAAAADBzhmBYyzoPABACIAiXWWAKCCAAlIgAIiAHObMgNZjLEtb+WOSjk1hHK6Ye6yLCOgEABAAAYAAAAgAIAADAAAAAAAAAAAA== > ethyl 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5-isoquinolyl]oxy]propanoate > 2-[[1-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5-isoquinolinyl]oxy]propanoic acid ethyl ester > ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]isoquinolin-5-yl]oxypropanoate > ethyl 2-[1-oxo-2-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]isoquinolin-5-yl]oxypropanoate > ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl]isoquinolin-5-yl]oxypropanoate > 2-[[1-keto-2-[2-keto-2-[4-(trifluoromethoxy)anilino]ethyl]-5-isoquinolyl]oxy]propionic acid ethyl ester > InChI=1S/C23H21F3N2O6/c1-3-32-22(31)14(2)33-19-6-4-5-18-17(19)11-12-28(21(18)30)13-20(29)27-15-7-9-16(10-8-15)34-23(24,25)26/h4-12,14H,3,13H2,1-2H3,(H,27,29) > LKIPYCDCOCCGGK-UHFFFAOYSA-N > 4.3 > 478.13517088 > C23H21F3N2O6 > 478.4 > CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F > CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)(F)F > 94.2 > 478.13517088 > 0 > 34 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 14 8 10 18 8 12 13 8 12 15 8 12 17 8 13 14 8 13 19 8 15 20 8 17 18 8 19 22 8 20 22 8 21 24 3 26 27 8 26 28 8 27 29 8 28 30 8 29 31 8 30 31 8 $$$$