[4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-pentylcyclohexyl)benzoate

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-pentylcyclohexyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-pentylcyclohexyl)benzoate CAS Name: 3-cyano-4-(4-pentylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-pentylcyclohexyl)benzoate Traditional Name: 4-(4-amylcyclohexyl)-3-cyano-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C38H47NO3 MolecularWeight: 565.78468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCC)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)C4CCC(CC4)CCCCC)C#N

InChI

InChI=1S/C38H47NO3/c1-3-5-7-8-10-26-41-35-21-16-30(17-22-35)31-18-23-36(24-19-31)42-38(40)33-20-25-37(34(27-33)28-39)32-14-12-29(13-15-32)11-9-6-4-2/h16-25,27,29,32H,3-15,26H2,1-2H3