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

Systemtic Name: (2-cyano-4-nonyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-nonyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate CAS Name: 4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-(4-isoamylcyclohexyl)benzoic acid (2-cyano-4-nonyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

InChI

InChI=1S/C34H47NO2/c1-4-5-6-7-8-9-10-11-28-16-23-33(32(24-28)25-35)37-34(36)31-21-19-30(20-22-31)29-17-14-27(15-18-29)13-12-26(2)3/h16,19-24,26-27,29H,4-15,17-18H2,1-3H3