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

Systemtic Name: (2-cyano-4-decyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-decyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate CAS Name: 4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-decylphenyl) ester IUPAC Name: (2-cyano-4-decylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-(4-isoamylcyclohexyl)benzoic acid (2-cyano-4-decyl-phenyl) ester Formula: C35H49NO2 MolecularWeight: 515.76906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

InChI

InChI=1S/C35H49NO2/c1-4-5-6-7-8-9-10-11-12-29-17-24-34(33(25-29)26-36)38-35(37)32-22-20-31(21-23-32)30-18-15-28(16-19-30)14-13-27(2)3/h17,20-25,27-28,30H,4-16,18-19H2,1-3H3