methyl 4-[4-(4-cyanophenyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[4-(4-cyanophenyl)phenyl]cyclohexane-1-carboxylate Openeye Name: methyl 4-[4-(4-cyanophenyl)phenyl]cyclohexanecarboxylate CAS Name: 4-[4-(4-cyanophenyl)phenyl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-cyanophenyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 4-[4-(4-cyanophenyl)phenyl]cyclohexanecarboxylic acid methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21NO2/c1-24-21(23)20-12-10-19(11-13-20)18-8-6-17(7-9-18)16-4-2-15(14-22)3-5-16/h2-9,19-20H,10-13H2,1H3