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

Systemtic Name: (2-cyano-4-hexan-2-yl-phenyl) 4-(4-butylcyclohexyl)benzoate Openeye Name: [2-cyano-4-(1-methylpentyl)phenyl] 4-(4-butylcyclohexyl)benzoate CAS Name: 4-(4-butylcyclohexyl)benzoic acid (2-cyano-4-hexan-2-ylphenyl) ester IUPAC Name: (2-cyano-4-hexan-2-ylphenyl) 4-(4-butylcyclohexyl)benzoate Traditional Name: 4-(4-butylcyclohexyl)benzoic acid [2-cyano-4-(1-methylpentyl)phenyl] ester Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(C)CCCC)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)C(C)CCCC)C#N

InChI

InChI=1S/C30H39NO2/c1-4-6-8-22(3)27-18-19-29(28(20-27)21-31)33-30(32)26-16-14-25(15-17-26)24-12-10-23(11-13-24)9-7-5-2/h14-20,22-24H,4-13H2,1-3H3