3-[(3-chloranyl-4-fluoranyl-phenyl)-(2-methylpropanoyl)amino]propanoic acid

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-(2-methylpropanoyl)amino]propanoic acid Openeye Name: 3-[3-chloro-4-fluoro-N-(2-methylpropanoyl)anilino]propanoic acid CAS Name: 3-(3-chloro-4-fluoro-N-(2-methyl-1-oxopropyl)anilino)propanoic acid IUPAC Name: 3-[3-chloro-4-fluoro-N-(2-methylpropanoyl)anilino]propanoic acid Traditional Name: 3-(3-chloro-4-fluoro-N-isobutyryl-anilino)propionic acid Formula: C13H15ClFNO3 MolecularWeight: 287.714503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CCC(=O)O)C1=CC(=C(C=C1)F)Cl

Isomeric SMILES

CC(C)C(=O)N(CCC(=O)O)C1=CC(=C(C=C1)F)Cl

InChI

InChI=1S/C13H15ClFNO3/c1-8(2)13(19)16(6-5-12(17)18)9-3-4-11(15)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)