(3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-cyanophenyl)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(2-cyanophenyl)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

InChI

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