1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(3-pyridinylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-methoxyethanone

Properties Image MNX_ID MNXM338729 reference chebi:126862 formula C27H34N4O4 global charge 0 mol weight 478.593 InChIKey IWOCERDKTBEBEC-QHCPKHFHSA-N InChI InChI=1S/C27H34N4O4/c1-29-22-13-20(35-3)6-7-21(22)25-26(29)23(16-32)31(24(33)17-34-2)18-27(25)8-11-30(12-9-27)15-19-5-4-10-28-14-19/h4-7,10,13-14,23,32H,8-9,11-12,15-18H2,1-3H3/t23-/m0/s1 SMILES COCC(=O)N1CC2(CCN(CC3=CN=CC=C3)CC2)C2=C([C@@H]1CO)N(C)C1=C2C=CC(OC)=C1 MNX internals InChI (mnx) InChI=1/C27H34N4O4/c1-29-22-13-20(35-3)6-7-21(22)25-26(29)23(16-32)31(24(33)17-34-2)18-27(25)8-11-30(12-9-27)15-19-5-4-10-28-14-19/h4-7,10,13-14,23,32H,8-9,11-12,15-18H2,1-3H3/t23-/m0/s1 SMILES (mnx) [CH3:1][N:29]1[C:22]2=[C:21]([CH:7]=[CH:6][C:20]([O:35][CH3:3])=[CH:13]2)[C:25]2=[C:26]1[C@H:23]([CH2:16][OH:32])[N:31]([C:24]([CH2:17][O:34][CH3:2])=[O:33])[CH2:18][C:27]21[CH2:8][CH2:11][N:30]([CH2:15][C:19]2=[CH:14][N:28]=[CH:10][CH:4]=[CH:5]2)[CH2:12][CH2:9]1

Parent-child relations graph

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