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

PropertiesImage
MNX_IDMNXM338722 Image of MNXM338722
referencechebi:129992
formulaC25H29N3O4
global charge0
mol weight435.524
InChIKeyGORXVTYAZVGSBL-NRFANRHFSA-N
InChIInChI=1S/C25H29N3O4/c1-16(30)28-14-25(15-28)13-27(11-17-6-4-5-7-22(17)32-3)21(12-29)24-23(25)19-9-8-18(31-2)10-20(19)26-24/h4-10,21,26,29H,11-15H2,1-3H3/t21-/m0/s1
SMILESCOC1=CC2=C(C=C1)C1=C(N2)[C@H](CO)N(CC2=CC=CC=C2OC)CC12CN(C(C)=O)C2
MNX internals
InChI (mnx)InChI=1/C25H29N3O4/c1-16(30)28-14-25(15-28)13-27(11-17-6-4-5-7-22(17)32-3)21(12-29)24-23(25)19-9-8-18(31-2)10-20(19)26-24/h4-10,21,26,29H,11-15H2,1-3H3/t21-/m0/s1 Image of MNXM338722
SMILES (mnx)[CH3:1][C:16]([N:28]1[CH2:14][C:25]2([CH2:13][N:27]([CH2:11][C:17]3=[CH:6][CH:4]=[CH:5][CH:7]=[C:22]3[O:32][CH3:3])[C@@H:21]([CH2:12][OH:29])[C:24]3=[C:23]2[C:19]2=[C:20]([CH:10]=[C:18]([O:31][CH3:2])[CH:8]=[CH:9]2)[NH:26]3)[CH2:15]1)=[O:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:129992
chebi:129992
GORXVTYAZVGSBL-NRFANRHFSA-N
1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-[(2-methoxyphenyl)methyl]-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone