(2-cyano-4-methyl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-methyl-phenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-methyl-phenyl) 1-(4-heptylphenyl)cyclohexanecarboxylate CAS Name: 1-(4-heptylphenyl)-1-cyclohexanecarboxylic acid (2-cyano-4-methylphenyl) ester IUPAC Name: (2-cyano-4-methylphenyl) 1-(4-heptylphenyl)cyclohexane-1-carboxylate Traditional Name: 1-(4-heptylphenyl)cyclohexanecarboxylic acid (2-cyano-4-methyl-phenyl) ester Formula: C28H35NO2 MolecularWeight: 417.583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2(CCCCC2)C(=O)OC3=C(C=C(C=C3)C)C#N

InChI

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