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

Systemtic Name: (2-cyano-4-octyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-octyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate CAS Name: 4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-octylphenyl) ester IUPAC Name: (2-cyano-4-octylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-(4-isoamylcyclohexyl)benzoic acid (2-cyano-4-octyl-phenyl) ester Formula: C33H45NO2 MolecularWeight: 487.7159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

InChI

InChI=1S/C33H45NO2/c1-4-5-6-7-8-9-10-27-15-22-32(31(23-27)24-34)36-33(35)30-20-18-29(19-21-30)28-16-13-26(14-17-28)12-11-25(2)3/h15,18-23,25-26,28H,4-14,16-17H2,1-3H3