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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate CAS Name: 3-cyano-4-(4-heptylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-cyano-4-(4-heptylcyclohexyl)benzoate Traditional Name: 3-cyano-4-(4-heptylcyclohexyl)benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C40H51NO3 MolecularWeight: 593.83784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCC)C#N

InChI

InChI=1S/C40H51NO3/c1-3-5-7-9-11-13-31-14-16-34(17-15-31)39-27-22-35(29-36(39)30-41)40(42)44-38-25-20-33(21-26-38)32-18-23-37(24-19-32)43-28-12-10-8-6-4-2/h18-27,29,31,34H,3-17,28H2,1-2H3