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

Systemtic Name: 3-[butanoyl-(3-chloranyl-4-fluoranyl-phenyl)amino]propanoic acid Openeye Name: 3-(N-butanoyl-3-chloro-4-fluoro-anilino)propanoic acid CAS Name: 3-[3-chloro-4-fluoro-N-(1-oxobutyl)anilino]propanoic acid IUPAC Name: 3-(N-butanoyl-3-chloro-4-fluoroanilino)propanoic acid Traditional Name: 3-(N-butyryl-3-chloro-4-fluoro-anilino)propionic acid Formula: C13H15ClFNO3 MolecularWeight: 287.714503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClFNO3/c1-2-3-12(17)16(7-6-13(18)19)9-4-5-11(15)10(14)8-9/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)