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

Systemtic Name: (2-cyano-4-pentyl-phenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-pentyl-phenyl) 1-(4-propylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-propylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-pentylphenyl) ester IUPAC Name: (2-cyano-4-pentylphenyl) 1-(4-propylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-propylphenyl)cyclohexanecarboxylic acid (4-amyl-2-cyano-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

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)CCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO2/c1-3-5-7-11-23-14-17-26(24(20-23)21-29)31-27(30)28(18-8-6-9-19-28)25-15-12-22(10-4-2)13-16-25/h12-17,20H,3-11,18-19H2,1-2H3