(2-cyano-4-hexan-2-yl-phenyl) 4-(4-ethylcyclohexyl)benzoate

Systemtic Name: (2-cyano-4-hexan-2-yl-phenyl) 4-(4-ethylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylpentyl)phenyl] 4-(4-ethylcyclohexyl)benzoate CAS Name: 4-(4-ethylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-hexan-2-ylphenyl) 4-(4-ethylcyclohexyl)benzoate Traditional Name: 4-(4-ethylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N

Isomeric SMILES

CCCCC(C)C1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CC)C#N

InChI

InChI=1S/C28H35NO2/c1-4-6-7-20(3)25-16-17-27(26(18-25)19-29)31-28(30)24-14-12-23(13-15-24)22-10-8-21(5-2)9-11-22/h12-18,20-22H,4-11H2,1-3H3