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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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