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

Systemtic Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-octylphenyl)benzoate Openeye Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-octylphenyl)benzoate CAS Name: 3-cyano-4-(4-octylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester IUPAC Name: [4-(4-octoxyphenyl)phenyl] 3-cyano-4-(4-octylphenyl)benzoate Traditional Name: 3-cyano-4-(4-octylphenyl)benzoic acid [4-(4-octoxyphenyl)phenyl] ester Formula: C42H49NO3 MolecularWeight: 615.84336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)OCCCCCCCC)C#N

InChI

InChI=1S/C42H49NO3/c1-3-5-7-9-11-13-15-33-16-18-36(19-17-33)41-29-24-37(31-38(41)32-43)42(44)46-40-27-22-35(23-28-40)34-20-25-39(26-21-34)45-30-14-12-10-8-6-4-2/h16-29,31H,3-15,30H2,1-2H3