1-[(1R,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone

Properties Image MNX_ID MNXM338805 reference chebi:126099 formula C26H23FN2O3 global charge 0 mol weight 430.479 InChIKey IRGPAELJLNMAJN-CUYJMHBOSA-N InChI InChI=1S/C26H23FN2O3/c27-19-10-6-9-18(14-19)26(32)29-22-15-28(24(31)13-17-7-2-1-3-8-17)21-12-5-4-11-20(21)25(22)23(29)16-30/h1-12,14,22-23,25,30H,13,15-16H2/t22-,23+,25+/m1/s1 SMILES O=C(CC1=CC=CC=C1)N1C[C@@H]2[C@H](C3=CC=CC=C31)[C@H](CO)N2C(=O)C1=CC(F)=CC=C1 MNX internals InChI (mnx) InChI=1/C26H23FN2O3/c27-19-10-6-9-18(14-19)26(32)29-22-15-28(24(31)13-17-7-2-1-3-8-17)21-12-5-4-11-20(21)25(22)23(29)16-30/h1-12,14,22-23,25,30H,13,15-16H2/t22-,23+,25+/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:7]=[C:17]([CH2:13][C:24]([N:28]2[CH2:15][C@@H:22]3[C@H:25]([C:20]4=[CH:11][CH:4]=[CH:5][CH:12]=[C:21]42)[C@H:23]([CH2:16][OH:30])[N:29]3[C:26]([C:18]2=[CH:14][C:19]([F:27])=[CH:10][CH:6]=[CH:9]2)=[O:32])=[O:31])[CH:8]=[CH:3]1

Parent-child relations graph

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