1-[(3aS,4S,9bR)-8-(4-fluorophenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone

Properties Image MNX_ID MNXM339877 reference chebi:127712 formula C22H25FN2O3 global charge 0 mol weight 384.451 InChIKey OWZWTDQWRCAHMI-NQSCKRDGSA-N InChI InChI=1S/C22H25FN2O3/c1-24-19-8-5-15(14-3-6-16(23)7-4-14)11-18(19)22-17(20(24)12-26)9-10-25(22)21(27)13-28-2/h3-8,11,17,20,22,26H,9-10,12-13H2,1-2H3/t17-,20-,22-/m1/s1 SMILES COCC(=O)N1CC[C@@H]2[C@@H](CO)N(C)C3=C(C=C(C4=CC=C(F)C=C4)C=C3)[C@@H]21 MNX internals InChI (mnx) InChI=1/C22H25FN2O3/c1-24-19-8-5-15(14-3-6-16(23)7-4-14)11-18(19)22-17(20(24)12-26)9-10-25(22)21(27)13-28-2/h3-8,11,17,20,22,26H,9-10,12-13H2,1-2H3/t17-,20-,22-/m1/s1 SMILES (mnx) [CH3:1][N:24]1[C:19]2=[C:18]([CH:11]=[C:15]([C:14]3=[CH:4][CH:7]=[C:16]([F:23])[CH:6]=[CH:3]3)[CH:5]=[CH:8]2)[C@H:22]2[C@H:17]([CH2:9][CH2:10][N:25]2[C:21]([CH2:13][O:28][CH3:2])=[O:27])[C@H:20]1[CH2:12][OH:26]

Parent-child relations graph

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