[5-cyano-2-(4-fluorophenyl)carbonyl-phenyl]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-cyano-2-(4-fluorophenyl)carbonyl-phenyl]methyl 2,2-dimethylpropanoate Openeye Name: [5-cyano-2-(4-fluorobenzoyl)phenyl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-cyano-2-[(4-fluorophenyl)-oxomethyl]phenyl]methyl ester IUPAC Name: [5-cyano-2-(4-fluorobenzoyl)phenyl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-cyano-2-(4-fluorobenzoyl)benzyl] ester Formula: C20H18FNO3 MolecularWeight: 339.360223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC1=C(C=CC(=C1)C#N)C(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)C(=O)OCC1=C(C=CC(=C1)C#N)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H18FNO3/c1-20(2,3)19(24)25-12-15-10-13(11-22)4-9-17(15)18(23)14-5-7-16(21)8-6-14/h4-10H,12H2,1-3H3