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

Systemtic Name: 3-methyl-2-[[2,4,5-tris(fluoranyl)-3-oxidanyl-phenyl]carbonylamino]pentanoic acid Openeye Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]pentanoic acid CAS Name: 3-methyl-2-[[oxo-(2,4,5-trifluoro-3-hydroxyphenyl)methyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]pentanoic acid Traditional Name: 3-methyl-2-[(2,4,5-trifluoro-3-hydroxy-benzoyl)amino]valeric acid Formula: C13H14F3NO4 MolecularWeight: 305.24977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO4/c1-3-5(2)10(13(20)21)17-12(19)6-4-7(14)9(16)11(18)8(6)15/h4-5,10,18H,3H2,1-2H3,(H,17,19)(H,20,21)