[4-(4-hexylphenyl)phenyl] 1-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: [4-(4-hexylphenyl)phenyl] 1-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: [4-(4-hexylphenyl)phenyl] 1-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 1-cyano-4-pentyl-1-cyclohexanecarboxylic acid [4-(4-hexylphenyl)phenyl] ester IUPAC Name: [4-(4-hexylphenyl)phenyl] 1-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-1-cyano-cyclohexanecarboxylic acid [4-(4-hexylphenyl)phenyl] ester Formula: C31H41NO2 MolecularWeight: 459.66274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3(CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C31H41NO2/c1-3-5-7-9-11-25-12-14-27(15-13-25)28-16-18-29(19-17-28)34-30(33)31(24-32)22-20-26(21-23-31)10-8-6-4-2/h12-19,26H,3-11,20-23H2,1-2H3