[2-cyano-4-(3-methylbutyl)phenyl] 4-(4-heptylcyclohexyl)benzoate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-heptylcyclohexyl)benzoate Openeye Name: (2-cyano-4-isopentyl-phenyl) 4-(4-heptylcyclohexyl)benzoate CAS Name: 4-(4-heptylcyclohexyl)benzoic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 4-(4-heptylcyclohexyl)benzoate Traditional Name: 4-(4-heptylcyclohexyl)benzoic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C32H43NO2/c1-4-5-6-7-8-9-25-12-15-27(16-13-25)28-17-19-29(20-18-28)32(34)35-31-21-14-26(11-10-24(2)3)22-30(31)23-33/h14,17-22,24-25,27H,4-13,15-16H2,1-3H3