[4-(4-cyanophenyl)phenyl] 3-cyano-4-hexoxy-benzoate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-cyano-4-hexoxy-benzoate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H24N2O3 MolecularWeight: 424.49106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C#N

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C#N

InChI

InChI=1S/C27H24N2O3/c1-2-3-4-5-16-31-26-15-12-23(17-24(26)19-29)27(30)32-25-13-10-22(11-14-25)21-8-6-20(18-28)7-9-21/h6-15,17H,2-5,16H2,1H3