(1R,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide

Properties Image MNX_ID MNXM169729 reference chebi:128936 formula C26H26FN3O3 global charge 0 mol weight 447.51 InChIKey FQKXBUVFPMCKHZ-DSITVLBTSA-N InChI InChI=1S/C26H26FN3O3/c1-33-20-12-6-17(7-13-20)14-29-23-15-30(26(32)28-19-10-8-18(27)9-11-19)22-5-3-2-4-21(22)25(23)24(29)16-31/h2-13,23-25,31H,14-16H2,1H3,(H,28,32)/t23-,24+,25+/m1/s1 SMILES COC1=CC=C(CN2[C@@H]3CN(C(=O)NC4=CC=C(F)C=C4)C4=CC=CC=C4[C@@H]3[C@@H]2CO)C=C1 MNX internals InChI (mnx) InChI=1/C26H26FN3O3/c1-33-20-12-6-17(7-13-20)14-29-23-15-30(26(32)28-19-10-8-18(27)9-11-19)22-5-3-2-4-21(22)25(23)24(29)16-31/h2-13,23-25,31H,14-16H2,1H3,(H,28,32)/t23-,24+,25+/m1/s1 SMILES (mnx) [CH3:1][O:33][C:20]1=[CH:13][CH:7]=[C:17]([CH2:14][N:29]2[C@@H:23]3[CH2:15][N:30]([C:26]([NH:28][C:19]4=[CH:11][CH:9]=[C:18]([F:27])[CH:8]=[CH:10]4)=[O:32])[C:22]4=[CH:5][CH:3]=[CH:2][CH:4]=[C:21]4[C@@H:25]3[C@@H:24]2[CH2:16][OH:31])[CH:6]=[CH:12]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0