3-methyl-2-[[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[oxo-(2,4,5-trifluoro-3-hydroxyphenyl)methyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]butyric acid Formula: C12H12F3NO4 MolecularWeight: 291.22319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1F)O)F)F

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1=CC(=C(C(=C1F)O)F)F

InChI

InChI=1S/C12H12F3NO4/c1-4(2)9(12(19)20)16-11(18)5-3-6(13)8(15)10(17)7(5)14/h3-4,9,17H,1-2H3,(H,16,18)(H,19,20)