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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO3/c1-2-3-4-15-5-9-17(10-6-15)19(22)14-24-20(23)18-11-7-16(13-21)8-12-18/h5-12H,2-4,14H2,1H3