4-[(2-cyano-3-fluoranyl-phenyl)carbamoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(2-cyano-3-fluoranyl-phenyl)carbamoyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-cyano-3-fluoro-phenyl)carbamoyl-methyl-amino]butanoic acid CAS Name: 4-[[(2-cyano-3-fluoroanilino)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-cyano-3-fluorophenyl)carbamoyl-methylamino]butanoic acid Traditional Name: 4-[(2-cyano-3-fluoro-phenyl)carbamoyl-methyl-amino]butyric acid Formula: C13H14FN3O3 MolecularWeight: 279.266963

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)NC1=C(C(=CC=C1)F)C#N

Isomeric SMILES

CN(CCCC(=O)O)C(=O)NC1=C(C(=CC=C1)F)C#N

InChI

InChI=1S/C13H14FN3O3/c1-17(7-3-6-12(18)19)13(20)16-11-5-2-4-10(14)9(11)8-15/h2,4-5H,3,6-7H2,1H3,(H,16,20)(H,18,19)