1-[(1R)-2-acetyl-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

Properties Image MNX_ID MNXM338767 reference chebi:128225 formula C21H27N3O4 global charge 0 mol weight 385.464 InChIKey KSUCOPAQSITWKT-SFHVURJKSA-N InChI InChI=1S/C21H27N3O4/c1-13(26)23-8-6-21(7-9-23)12-24(14(2)27)18(11-25)20-19(21)16-5-4-15(28-3)10-17(16)22-20/h4-5,10,18,22,25H,6-9,11-12H2,1-3H3/t18-/m0/s1 SMILES COC1=CC2=C(C=C1)C1=C(N2)[C@H](CO)N(C(C)=O)CC12CCN(C(C)=O)CC2 MNX internals InChI (mnx) InChI=1/C21H27N3O4/c1-13(26)23-8-6-21(7-9-23)12-24(14(2)27)18(11-25)20-19(21)16-5-4-15(28-3)10-17(16)22-20/h4-5,10,18,22,25H,6-9,11-12H2,1-3H3/t18-/m0/s1 SMILES (mnx) [CH3:1][C:13]([N:23]1[CH2:8][CH2:6][C:21]2([CH2:7][CH2:9]1)[CH2:12][N:24]([C:14]([CH3:2])=[O:27])[C@@H:18]([CH2:11][OH:25])[C:20]1=[C:19]2[C:16]2=[C:17]([CH:10]=[C:15]([O:28][CH3:3])[CH:4]=[CH:5]2)[NH:22]1)=[O:26]

Parent-child relations graph

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