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

Systemtic Name: (2-cyano-4-hexan-2-yl-phenyl) 4-(4-pentylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylpentyl)phenyl] 4-(4-pentylcyclohexyl)benzoate CAS Name: 4-(4-pentylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-hexan-2-ylphenyl) 4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO2/c1-4-6-8-10-24-11-13-25(14-12-24)26-15-17-27(18-16-26)31(33)34-30-20-19-28(21-29(30)22-32)23(3)9-7-5-2/h15-21,23-25H,4-14H2,1-3H3