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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC=C(C2=C1C=C(C=C2)Cl)CC(=O)OC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O

Isomeric SMILES

CN1C(=O)CC=C(C2=C1C=C(C=C2)Cl)CC(=O)OC3CCC(C(C3)CN(C)C)(C4=CC(=CC=C4)OC)O

InChI

InChI=1S/C29H35ClN2O5/c1-31(2)18-21-16-24(12-13-29(21,35)20-6-5-7-23(15-20)36-4)37-28(34)14-19-8-11-27(33)32(3)26-17-22(30)9-10-25(19)26/h5-10,15,17,21,24,35H,11-14,16,18H2,1-4H3