[2-cyano-4-(3-methylbutyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate

Systemtic Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-isopentyl-phenyl) 1-(4-nonylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-nonylphenyl)-1-cyclohexanecarboxylic acid [2-cyano-4-(3-methylbutyl)phenyl] ester IUPAC Name: [2-cyano-4-(3-methylbutyl)phenyl] 1-(4-nonylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-nonylphenyl)cyclohexanecarboxylic acid (2-cyano-4-isoamyl-phenyl) ester Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C34H47NO2/c1-4-5-6-7-8-9-11-14-28-17-20-31(21-18-28)34(23-12-10-13-24-34)33(36)37-32-22-19-29(16-15-27(2)3)25-30(32)26-35/h17-22,25,27H,4-16,23-24H2,1-3H3