(4-cyanophenyl) 4-(4-ethylcyclohexen-1-yl)benzoate

Systemtic Name: (4-cyanophenyl) 4-(4-ethylcyclohexen-1-yl)benzoate Openeye Name: (4-cyanophenyl) 4-(4-ethylcyclohexen-1-yl)benzoate CAS Name: 4-(4-ethyl-1-cyclohexenyl)benzoic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-(4-ethylcyclohexen-1-yl)benzoate Traditional Name: 4-(4-ethylcyclohexen-1-yl)benzoic acid (4-cyanophenyl) ester Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1CCC(=CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21NO2/c1-2-16-3-7-18(8-4-16)19-9-11-20(12-10-19)22(24)25-21-13-5-17(15-23)6-14-21/h5-7,9-14,16H,2-4,8H2,1H3