4-[(2-cyano-3-fluoranyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(2-cyano-3-fluoranyl-phenyl)amino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-(2-cyano-3-fluoro-anilino)-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-(2-cyano-3-fluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-(2-cyano-3-fluoroanilino)-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-(2-cyano-3-fluoro-anilino)-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C15H17FN2O3 MolecularWeight: 292.305483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(=O)NC1=C(C(=CC=C1)F)C#N)C(=O)O

Isomeric SMILES

CC(C)C(C)(CC(=O)NC1=C(C(=CC=C1)F)C#N)C(=O)O

InChI

InChI=1S/C15H17FN2O3/c1-9(2)15(3,14(20)21)7-13(19)18-12-6-4-5-11(16)10(12)8-17/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)