[4-(4-methylcyclohexyl)phenyl] 4-cyanobenzoate

Systemtic Name: [4-(4-methylcyclohexyl)phenyl] 4-cyanobenzoate Openeye Name: [4-(4-methylcyclohexyl)phenyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-methylcyclohexyl)phenyl] ester IUPAC Name: [4-(4-methylcyclohexyl)phenyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-methylcyclohexyl)phenyl] ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCC(CC1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21NO2/c1-15-2-6-17(7-3-15)18-10-12-20(13-11-18)24-21(23)19-8-4-16(14-22)5-9-19/h4-5,8-13,15,17H,2-3,6-7H2,1H3