(4-pentylphenyl) 4-(3-cyano-4-heptoxy-phenyl)benzoate

Systemtic Name: (4-pentylphenyl) 4-(3-cyano-4-heptoxy-phenyl)benzoate Openeye Name: (4-pentylphenyl) 4-(3-cyano-4-heptoxy-phenyl)benzoate CAS Name: 4-(3-cyano-4-heptoxyphenyl)benzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-(3-cyano-4-heptoxyphenyl)benzoate Traditional Name: 4-(3-cyano-4-heptoxy-phenyl)benzoic acid (4-amylphenyl) ester Formula: C32H37NO3 MolecularWeight: 483.64108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C32H37NO3/c1-3-5-7-8-10-22-35-31-21-18-28(23-29(31)24-33)26-14-16-27(17-15-26)32(34)36-30-19-12-25(13-20-30)11-9-6-4-2/h12-21,23H,3-11,22H2,1-2H3