(4-hexylphenyl) 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoate

Systemtic Name: (4-hexylphenyl) 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoate Openeye Name: (4-hexylphenyl) 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoate CAS Name: 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-hexylphenyl) ester IUPAC Name: (4-hexylphenyl) 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoate Traditional Name: 2-cyano-4-[4-(2-methylbutyl)cyclohexyl]benzoic acid (4-hexylphenyl) ester Formula: C31H41NO2 MolecularWeight: 459.66274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)C3CCC(CC3)CC(C)CC)C#N

InChI

InChI=1S/C31H41NO2/c1-4-6-7-8-9-24-12-17-29(18-13-24)34-31(33)30-19-16-27(21-28(30)22-32)26-14-10-25(11-15-26)20-23(3)5-2/h12-13,16-19,21,23,25-26H,4-11,14-15,20H2,1-3H3