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

Systemtic Name: (2-cyano-4-heptyl-phenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Openeye Name: (2-cyano-4-heptyl-phenyl) 4-(4-isopentylcyclohexyl)benzoate CAS Name: 4-[4-(3-methylbutyl)cyclohexyl]benzoic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 4-[4-(3-methylbutyl)cyclohexyl]benzoate Traditional Name: 4-(4-isoamylcyclohexyl)benzoic acid (2-cyano-4-heptyl-phenyl) ester Formula: C32H43NO2 MolecularWeight: 473.68932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCC(C)C)C#N

InChI

InChI=1S/C32H43NO2/c1-4-5-6-7-8-9-26-14-21-31(30(22-26)23-33)35-32(34)29-19-17-28(18-20-29)27-15-12-25(13-16-27)11-10-24(2)3/h14,17-22,24-25,27H,4-13,15-16H2,1-3H3