[4-(4-octylphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(4-octylphenyl)phenyl] 3-cyano-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octylphenyl)phenyl] 3-cyano-4-(1-methylheptoxy)benzoate CAS Name: 3-cyano-4-octan-2-yloxybenzoic acid [4-(4-octylphenyl)phenyl] ester IUPAC Name: [4-(4-octylphenyl)phenyl] 3-cyano-4-octan-2-yloxybenzoate Traditional Name: 3-cyano-4-(1-methylheptoxy)benzoic acid [4-(4-octylphenyl)phenyl] ester Formula: C36H45NO3 MolecularWeight: 539.7474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)C#N

InChI

InChI=1S/C36H45NO3/c1-4-6-8-10-11-13-15-29-16-18-30(19-17-29)31-20-23-34(24-21-31)40-36(38)32-22-25-35(33(26-32)27-37)39-28(3)14-12-9-7-5-2/h16-26,28H,4-15H2,1-3H3