1-[(1R,2aR,8bR)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone

Properties Image MNX_ID MNXM338781 reference chebi:129634 formula C21H21FN2O4 global charge 0 mol weight 384.407 InChIKey FNVQGPHQAOFVNP-CMKODMSKSA-N InChI InChI=1S/C21H21FN2O4/c1-28-12-19(26)23-10-17-20(14-7-3-5-9-16(14)23)18(11-25)24(17)21(27)13-6-2-4-8-15(13)22/h2-9,17-18,20,25H,10-12H2,1H3/t17-,18-,20+/m0/s1 SMILES COCC(=O)N1C[C@H]2[C@@H](C3=CC=CC=C31)[C@H](CO)N2C(=O)C1=CC=CC=C1F MNX internals InChI (mnx) InChI=1/C21H21FN2O4/c1-28-12-19(26)23-10-17-20(14-7-3-5-9-16(14)23)18(11-25)24(17)21(27)13-6-2-4-8-15(13)22/h2-9,17-18,20,25H,10-12H2,1H3/t17-,18-,20+/m0/s1 SMILES (mnx) [CH3:1][O:28][CH2:12][C:19]([N:23]1[CH2:10][C@H:17]2[C@@H:20]([C:14]3=[CH:7][CH:3]=[CH:5][CH:9]=[C:16]31)[C@H:18]([CH2:11][OH:25])[N:24]2[C:21]([C:13]1=[CH:6][CH:2]=[CH:4][CH:8]=[C:15]1[F:22])=[O:27])=[O:26]

Parent-child relations graph

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