[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 3-cyanobenzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H19NO3/c1-2-3-5-15-8-10-17(11-9-15)19(22)14-24-20(23)18-7-4-6-16(12-18)13-21/h4,6-12H,2-3,5,14H2,1H3