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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-propanoyl-amino]propanoic acid Openeye Name: 3-(3-chloro-4-fluoro-N-propanoyl-anilino)propanoic acid CAS Name: 3-[3-chloro-4-fluoro-N-(1-oxopropyl)anilino]propanoic acid IUPAC Name: 3-(3-chloro-4-fluoro-N-propanoylanilino)propanoic acid Traditional Name: 3-(3-chloro-4-fluoro-N-propionyl-anilino)propionic acid Formula: C12H13ClFNO3 MolecularWeight: 273.687923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClFNO3/c1-2-11(16)15(6-5-12(17)18)8-3-4-10(14)9(13)7-8/h3-4,7H,2,5-6H2,1H3,(H,17,18)