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

Systemtic Name: [3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 4-chloranylbenzoate Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C23H28ClNO4 MolecularWeight: 417.92572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClNO4/c1-25(2)15-18-14-21(29-22(26)16-7-9-19(24)10-8-16)11-12-23(18,27)17-5-4-6-20(13-17)28-3/h4-10,13,18,21,27H,11-12,14-15H2,1-3H3