(1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-ethylcyclohexane-1-carboxylate

Systemtic Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-ethylcyclohexane-1-carboxylate Openeye Name: (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid (1-cyano-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-cyano-4-phenylcyclohexa-2,5-dien-1-yl) 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid (1-cyano-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C22H25NO2 MolecularWeight: 335.4394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC1CCC(CC1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H25NO2/c1-2-17-8-10-20(11-9-17)21(24)25-22(16-23)14-12-19(13-15-22)18-6-4-3-5-7-18/h3-7,12-15,17,19-20H,2,8-11H2,1H3