[2-(8-chloranyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] ethanoate

Systemtic Name: [2-(8-chloranyl-1-methyl-2-oxidanylidene-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] ethanoate Openeye Name: [2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] acetate CAS Name: acetic acid [2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(8-chloro-1-methyl-2-oxo-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] acetate Traditional Name: acetic acid [2-(8-chloro-2-keto-1-methyl-3H-1-benzazepin-5-yl)-3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C29H35ClN2O5 MolecularWeight: 527.0516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(C(C1C2=CCC(=O)N(C3=C2C=CC(=C3)Cl)C)CN(C)C)(C4=CC(=CC=C4)OC)O

Isomeric SMILES

CC(=O)OC1CCC(C(C1C2=CCC(=O)N(C3=C2C=CC(=C3)Cl)C)CN(C)C)(C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C29H35ClN2O5/c1-18(33)37-26-13-14-29(35,19-7-6-8-21(15-19)36-5)24(17-31(2)3)28(26)23-11-12-27(34)32(4)25-16-20(30)9-10-22(23)25/h6-11,15-16,24,26,28,35H,12-14,17H2,1-5H3