(2-cyano-4-heptyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-heptyl-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-heptyl-phenyl) 1-(4-isopentylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(3-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (2-cyano-4-heptylphenyl) ester IUPAC Name: (2-cyano-4-heptylphenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isoamylphenyl)cyclohexanecarboxylic 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(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C32H43NO2/c1-4-5-6-7-9-12-27-17-20-30(28(23-27)24-33)35-31(34)32(21-10-8-11-22-32)29-18-15-26(16-19-29)14-13-25(2)3/h15-20,23,25H,4-14,21-22H2,1-3H3