1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone

Properties Image MNX_ID MNXM339855 reference chebi:130101 formula C27H28N2O3 global charge 0 mol weight 428.532 InChIKey RDRBRKCLJGPFFZ-AVPJRLCVSA-N InChI InChI=1S/C27H28N2O3/c1-32-21-9-5-8-19(15-21)20-10-11-24-23(16-20)27-22(25(17-30)28-24)12-13-29(27)26(31)14-18-6-3-2-4-7-18/h2-11,15-16,22,25,27-28,30H,12-14,17H2,1H3/t22-,25-,27-/m1/s1 SMILES COC1=CC=CC(C2=CC3=C(C=C2)N[C@H](CO)[C@H]2CCN(C(=O)CC4=CC=CC=C4)[C@@H]32)=C1 MNX internals InChI (mnx) InChI=1/C27H28N2O3/c1-32-21-9-5-8-19(15-21)20-10-11-24-23(16-20)27-22(25(17-30)28-24)12-13-29(27)26(31)14-18-6-3-2-4-7-18/h2-11,15-16,22,25,27-28,30H,12-14,17H2,1H3/t22-,25-,27-/m1/s1 SMILES (mnx) [CH3:1][O:32][C:21]1=[CH:9][CH:5]=[CH:8][C:19]([C:20]2=[CH:16][C:23]3=[C:24]([CH:11]=[CH:10]2)[NH:28][C@H:25]([CH2:17][OH:30])[C@H:22]2[CH2:12][CH2:13][N:29]([C:26]([CH2:14][C:18]4=[CH:6][CH:3]=[CH:2][CH:4]=[CH:7]4)=[O:31])[C@H:27]23)=[CH:15]1

Parent-child relations graph

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