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

Systemtic Name: (4-butyl-2-cyano-phenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Openeye Name: (4-butyl-2-cyano-phenyl) 1-(4-isopentylphenyl)cyclohexanecarboxylate CAS Name: 1-[4-(3-methylbutyl)phenyl]-1-cyclohexanecarboxylic acid (4-butyl-2-cyanophenyl) ester IUPAC Name: (4-butyl-2-cyanophenyl) 1-[4-(3-methylbutyl)phenyl]cyclohexane-1-carboxylate Traditional Name: 1-(4-isoamylphenyl)cyclohexanecarboxylic acid (4-butyl-2-cyano-phenyl) ester Formula: C29H37NO2 MolecularWeight: 431.60958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)CCC(C)C)C#N

InChI

InChI=1S/C29H37NO2/c1-4-5-9-24-14-17-27(25(20-24)21-30)32-28(31)29(18-7-6-8-19-29)26-15-12-23(13-16-26)11-10-22(2)3/h12-17,20,22H,4-11,18-19H2,1-3H3