2-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(3-fluoro-4-methylanilino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H19FN2O3 MolecularWeight: 282.310663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(C(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(C(C)C)C(=O)O)F

InChI

InChI=1S/C14H19FN2O3/c1-8(2)13(14(19)20)16-7-12(18)17-10-5-4-9(3)11(15)6-10/h4-6,8,13,16H,7H2,1-3H3,(H,17,18)(H,19,20)