(4-phenylphenyl) 3-cyano-4-hexoxy-benzoate

Systemtic Name: (4-phenylphenyl) 3-cyano-4-hexoxy-benzoate Openeye Name: (4-phenylphenyl) 3-cyano-4-hexoxy-benzoate CAS Name: 3-cyano-4-hexoxybenzoic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 3-cyano-4-hexoxybenzoate Traditional Name: 3-cyano-4-hexoxy-benzoic acid (4-phenylphenyl) ester Formula: C26H25NO3 MolecularWeight: 399.4816

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=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3/c1-2-3-4-8-17-29-25-16-13-22(18-23(25)19-27)26(28)30-24-14-11-21(12-15-24)20-9-6-5-7-10-20/h5-7,9-16,18H,2-4,8,17H2,1H3