(4-butylphenyl) 6-cyanonaphthalene-2-carboxylate

Systemtic Name: (4-butylphenyl) 6-cyanonaphthalene-2-carboxylate Openeye Name: (4-butylphenyl) 6-cyanonaphthalene-2-carboxylate CAS Name: 6-cyano-2-naphthalenecarboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 6-cyanonaphthalene-2-carboxylate Traditional Name: 6-cyanonaphthalene-2-carboxylic acid (4-butylphenyl) ester Formula: C22H19NO2 MolecularWeight: 329.39176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C=C(C=C3)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)OC(=O)C2=CC3=C(C=C2)C=C(C=C3)C#N

InChI

InChI=1S/C22H19NO2/c1-2-3-4-16-6-11-21(12-7-16)25-22(24)20-10-9-18-13-17(15-23)5-8-19(18)14-20/h5-14H,2-4H2,1H3