[3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-4-oxidanyl-cyclohexyl] 3,4-bis(chloranyl)benzoate Openeye Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester IUPAC Name: [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [3-(dimethylaminomethyl)-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] ester Formula: C23H27Cl2NO4 MolecularWeight: 452.37078

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H27Cl2NO4/c1-26(2)14-17-13-19(30-22(27)15-7-8-20(24)21(25)11-15)9-10-23(17,28)16-5-4-6-18(12-16)29-3/h4-8,11-12,17,19,28H,9-10,13-14H2,1-3H3