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

Systemtic Name: 3-[(3-chloranyl-4-fluoranyl-phenyl)-(3-methylbutanoyl)amino]propanoic acid Openeye Name: 3-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]propanoic acid CAS Name: 3-(3-chloro-4-fluoro-N-(3-methyl-1-oxobutyl)anilino)propanoic acid IUPAC Name: 3-[3-chloro-4-fluoro-N-(3-methylbutanoyl)anilino]propanoic acid Traditional Name: 3-(3-chloro-4-fluoro-N-isovaleryl-anilino)propionic acid Formula: C14H17ClFNO3 MolecularWeight: 301.741083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClFNO3/c1-9(2)7-13(18)17(6-5-14(19)20)10-3-4-12(16)11(15)8-10/h3-4,8-9H,5-7H2,1-2H3,(H,19,20)