1-[(3aS,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-2-pyridin-4-ylethanone

Properties Image MNX_ID MNXM339866 reference chebi:130186 formula C27H29N3O3 global charge 0 mol weight 443.547 InChIKey BUQGVIZHJOSDOL-BUALBWRZSA-N InChI InChI=1S/C27H29N3O3/c1-29-24-7-6-20(19-4-3-5-21(15-19)33-2)16-23(24)27-22(25(29)17-31)10-13-30(27)26(32)14-18-8-11-28-12-9-18/h3-9,11-12,15-16,22,25,27,31H,10,13-14,17H2,1-2H3/t22-,25+,27-/m1/s1 SMILES COC1=CC=CC(C2=CC3=C(C=C2)N(C)[C@@H](CO)[C@H]2CCN(C(=O)CC4=CC=NC=C4)[C@@H]32)=C1 MNX internals InChI (mnx) InChI=1/C27H29N3O3/c1-29-24-7-6-20(19-4-3-5-21(15-19)33-2)16-23(24)27-22(25(29)17-31)10-13-30(27)26(32)14-18-8-11-28-12-9-18/h3-9,11-12,15-16,22,25,27,31H,10,13-14,17H2,1-2H3/t22-,25+,27-/m1/s1 SMILES (mnx) [CH3:1][N:29]1[C:24]2=[C:23]([CH:16]=[C:20]([C:19]3=[CH:15][C:21]([O:33][CH3:2])=[CH:5][CH:3]=[CH:4]3)[CH:6]=[CH:7]2)[C@H:27]2[C@H:22]([CH2:10][CH2:13][N:30]2[C:26]([CH2:14][C:18]2=[CH:9][CH:12]=[N:28][CH:11]=[CH:8]2)=[O:32])[C@@H:25]1[CH2:17][OH:31]

Parent-child relations graph

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