2-[(4-cyano-2-fluoranyl-phenyl)amino]-2-methyl-pentanoic acid

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)amino]-2-methyl-pentanoic acid Openeye Name: 2-(4-cyano-2-fluoro-anilino)-2-methyl-pentanoic acid CAS Name: 2-(4-cyano-2-fluoroanilino)-2-methylpentanoic acid IUPAC Name: 2-(4-cyano-2-fluoroanilino)-2-methylpentanoic acid Traditional Name: 2-(4-cyano-2-fluoro-anilino)-2-methyl-valeric acid Formula: C13H15FN2O2 MolecularWeight: 250.268803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN2O2/c1-3-6-13(2,12(17)18)16-11-5-4-9(8-15)7-10(11)14/h4-5,7,16H,3,6H2,1-2H3,(H,17,18)