(2-cyano-4-pentyl-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-(p-tolyl)cyclohexanecarboxylate CAS Name: 1-(4-methylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-(4-methylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(p-tolyl)cyclohexanecarboxylic acid (4-amyl-2-cyano-phenyl) ester Formula: C26H31NO2 MolecularWeight: 389.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2(CCCCC2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C26H31NO2/c1-3-4-6-9-21-12-15-24(22(18-21)19-27)29-25(28)26(16-7-5-8-17-26)23-13-10-20(2)11-14-23/h10-15,18H,3-9,16-17H2,1-2H3