(4-ethylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate

Systemtic Name: (4-ethylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate Openeye Name: (4-ethylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate CAS Name: 2-cyano-4-(4-pentylcyclohexyl)benzoic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 2-cyano-4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)-2-cyano-benzoic acid (4-ethylphenyl) ester Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC(=C(C=C2)C(=O)OC3=CC=C(C=C3)CC)C#N

InChI

InChI=1S/C27H33NO2/c1-3-5-6-7-21-8-12-22(13-9-21)23-14-17-26(24(18-23)19-28)27(29)30-25-15-10-20(4-2)11-16-25/h10-11,14-18,21-22H,3-9,12-13H2,1-2H3