(2-cyano-4-nonyl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-nonyl-phenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-nonyl-phenyl) 1-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-butylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-nonylphenyl) ester IUPAC Name: (2-cyano-4-nonylphenyl) 1-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-butylphenyl)cyclohexanecarboxylic acid (2-cyano-4-nonyl-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCC)C#N

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCCC)C#N

InChI

InChI=1S/C33H45NO2/c1-3-5-7-8-9-10-12-16-28-19-22-31(29(25-28)26-34)36-32(35)33(23-13-11-14-24-33)30-20-17-27(18-21-30)15-6-4-2/h17-22,25H,3-16,23-24H2,1-2H3