[4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3-chloranylbenzoate

Systemtic Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3-chloranylbenzoate Openeye Name: [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenylcyclohexyl] ester IUPAC Name: [4-cyano-1-(dimethylaminomethyl)-4-phenylcyclohexyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-cyano-1-(dimethylaminomethyl)-4-phenyl-cyclohexyl] ester Formula: C23H25ClN2O2 MolecularWeight: 396.9098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN2O2/c1-26(2)17-23(28-21(27)18-7-6-10-20(24)15-18)13-11-22(16-25,12-14-23)19-8-4-3-5-9-19/h3-10,15H,11-14,17H2,1-2H3