4-methyl-2-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 4-methyl-2-[[2,3,6-tris(chloranyl)phenyl]carbonylamino]pentanoic acid Openeye Name: 4-methyl-2-[(2,3,6-trichlorobenzoyl)amino]pentanoic acid CAS Name: 4-methyl-2-[[oxo-(2,3,6-trichlorophenyl)methyl]amino]pentanoic acid IUPAC Name: 4-methyl-2-[(2,3,6-trichlorobenzoyl)amino]pentanoic acid Traditional Name: 4-methyl-2-[(2,3,6-trichlorobenzoyl)amino]valeric acid Formula: C13H14Cl3NO3 MolecularWeight: 338.61416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C1=C(C=CC(=C1Cl)Cl)Cl

InChI

InChI=1S/C13H14Cl3NO3/c1-6(2)5-9(13(19)20)17-12(18)10-7(14)3-4-8(15)11(10)16/h3-4,6,9H,5H2,1-2H3,(H,17,18)(H,19,20)