71174673 -OEChem-05062400282D 67 71 0 1 0 0 0 0 0999 V2000 14.2443 4.0105 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9895 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 0.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -2.0346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -1.0346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 0.9654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3961 -0.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8602 0.4654 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2622 -1.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8602 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 2.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3683 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5762 3.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3764 3.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4743 4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -3.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2632 1.2754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1323 -0.1096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0723 -1.1172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 -0.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 -0.0597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1938 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9908 -0.0096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 1.0480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6704 0.3828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0689 1.0730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 1.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 1.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3836 -1.9270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -2.6172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7991 -2.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9016 2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0358 3.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.6892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.4146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3233 -3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4719 4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -4.6546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 -3.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 55 1 0 0 0 0 11 6 1 6 0 0 0 6 56 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 37 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 38 1 1 0 0 0 10 12 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 1 0 0 0 0 15 47 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 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 23 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 24 57 1 0 0 0 0 25 31 2 0 0 0 0 25 58 1 0 0 0 0 26 32 2 0 0 0 0 26 59 1 0 0 0 0 27 33 2 0 0 0 0 27 60 1 0 0 0 0 28 34 1 0 0 0 0 28 61 1 0 0 0 0 29 35 2 0 0 0 0 29 62 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 36 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 M END > 71174673 > 1 > 634 > 7 > 2 > 8 > AAADceB6OYAAAAAAAAAAAAAAAAAAAAAAAAA0aMECAAAAAACRUAAAHwAACAAADBThmA4wBoMABgCAAiBCAACCCAAgIAAIiAAODIgPNiKEsRuGeCjmwBGbqAeQwPAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > 2-[benzyl-[(2S)-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]amino]-1-(6-fluorochroman-2-yl)ethanol > 1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-[[(2S)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl]-(phenylmethyl)amino]ethanol > 2-[benzyl-[(2S)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol > 2-[benzyl-[(2S)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol > 1-(6-fluoranyl-3,4-dihydro-2H-chromen-2-yl)-2-[[(2S)-2-[(2R)-6-fluoranyl-3,4-dihydro-2H-chromen-2-yl]-2-oxidanyl-ethyl]-(phenylmethyl)amino]ethanol > 2-[benzyl-[(2S)-2-[(2R)-6-fluorochroman-2-yl]-2-hydroxy-ethyl]amino]-1-(6-fluorochroman-2-yl)ethanol > InChI=1S/C29H31F2NO4/c30-22-8-12-26-20(14-22)6-10-28(35-26)24(33)17-32(16-19-4-2-1-3-5-19)18-25(34)29-11-7-21-15-23(31)9-13-27(21)36-29/h1-5,8-9,12-15,24-25,28-29,33-34H,6-7,10-11,16-18H2/t24-,25?,28+,29?/m0/s1 > STEPXTPIBUXRLE-XIKBYJEJSA-N > 5 > 495.22211479 > C29H31F2NO4 > 495.6 > C1CC2=C(C=CC(=C2)F)OC1C(CN(CC3=CC=CC=C3)CC(C4CCC5=C(O4)C=CC(=C5)F)O)O > C1CC2=C(C=CC(=C2)F)O[C@H]1[C@H](CN(CC3=CC=CC=C3)CC(C4CCC5=C(O4)C=CC(=C5)F)O)O > 62.2 > 495.22211479 > 0 > 36 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 19 21 8 19 24 8 20 22 8 20 25 8 21 26 8 22 27 8 23 28 8 23 29 8 24 30 8 25 31 8 26 32 8 27 33 8 28 34 8 29 35 8 30 32 8 31 33 8 34 36 8 35 36 8 10 5 3 11 6 6 8 14 3 9 38 5 $$$$