[4-(4-octoxyphenyl)phenyl] 3-cyano-4-heptyl-benzoate

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-heptyl-benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-heptyl-benzoate CAS Name: 3-cyano-4-heptylbenzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-heptylbenzoate Traditional Name: 3-cyano-4-heptyl-benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C35H43NO3 MolecularWeight: 525.72082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)C#N

InChI

InChI=1S/C35H43NO3/c1-3-5-7-9-11-13-25-38-33-21-17-29(18-22-33)30-19-23-34(24-20-30)39-35(37)31-16-15-28(32(26-31)27-36)14-12-10-8-6-4-2/h15-24,26H,3-14,25H2,1-2H3