1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(4-methoxyphenyl)methyl]-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

Properties Image MNX_ID MNXM338725 reference chebi:129136 formula C26H31N3O4 global charge 0 mol weight 449.551 InChIKey KGEFONGMHZUKCP-QHCPKHFHSA-N InChI InChI=1S/C26H31N3O4/c1-17(31)29-15-26(16-29)14-28(12-18-5-7-19(32-3)8-6-18)23(13-30)25-24(26)21-10-9-20(33-4)11-22(21)27(25)2/h5-11,23,30H,12-16H2,1-4H3/t23-/m0/s1 SMILES COC1=CC=C(CN2CC3(CN(C(C)=O)C3)C3=C([C@@H]2CO)N(C)C2=C3C=CC(OC)=C2)C=C1 MNX internals InChI (mnx) InChI=1/C26H31N3O4/c1-17(31)29-15-26(16-29)14-28(12-18-5-7-19(32-3)8-6-18)23(13-30)25-24(26)21-10-9-20(33-4)11-22(21)27(25)2/h5-11,23,30H,12-16H2,1-4H3/t23-/m0/s1 SMILES (mnx) [CH3:1][C:17]([N:29]1[CH2:15][C:26]2([CH2:14][N:28]([CH2:12][C:18]3=[CH:6][CH:8]=[C:19]([O:32][CH3:3])[CH:7]=[CH:5]3)[C@@H:23]([CH2:13][OH:30])[C:25]3=[C:24]2[C:21]2=[C:22]([CH:11]=[C:20]([O:33][CH3:4])[CH:9]=[CH:10]2)[N:27]3[CH3:2])[CH2:16]1)=[O:31]

Parent-child relations graph

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