[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 3-methoxybenzoate

Systemtic Name: [3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 3-methoxybenzoate Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 3-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CC(CCC1(C2=CC(=CC=C2)OC)O)OC(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CN(C)CC1CC(CCC1(C2=CC(=CC=C2)OC)O)OC(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H31NO5/c1-25(2)16-19-15-22(30-23(26)17-7-5-9-20(13-17)28-3)11-12-24(19,27)18-8-6-10-21(14-18)29-4/h5-10,13-14,19,22,27H,11-12,15-16H2,1-4H3