[4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3,4-bis(chloranyl)benzoate Openeye Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenylcyclohexyl] ester IUPAC Name: [4-cyano-1-(dimethylaminomethyl)-4-phenylcyclohexyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] ester Formula: C23H24Cl2N2O2 MolecularWeight: 431.35486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1(CCC(CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN(C)CC1(CCC(CC1)(C#N)C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H24Cl2N2O2/c1-27(2)16-23(29-21(28)17-8-9-19(24)20(25)14-17)12-10-22(15-26,11-13-23)18-6-4-3-5-7-18/h3-9,14H,10-13,16H2,1-2H3