[1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 4-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-(4-propylphenyl)propan-2-yl] 4-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(4-propylphenyl)ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [1-oxo-1-(4-propylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-propylphenyl)propan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-1-methyl-2-(4-propylphenyl)ethyl] ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)C#N

InChI

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