4-[(5-cyano-2-fluoranyl-phenyl)methylamino]butanoic acid

Systemtic Name: 4-[(5-cyano-2-fluoranyl-phenyl)methylamino]butanoic acid Openeye Name: 4-[(5-cyano-2-fluoro-phenyl)methylamino]butanoic acid CAS Name: 4-[(5-cyano-2-fluorophenyl)methylamino]butanoic acid IUPAC Name: 4-[(5-cyano-2-fluorophenyl)methylamino]butanoic acid Traditional Name: 4-[(5-cyano-2-fluoro-benzyl)amino]butyric acid Formula: C12H13FN2O2 MolecularWeight: 236.242223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CNCCCC(=O)O)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CNCCCC(=O)O)F

InChI

InChI=1S/C12H13FN2O2/c13-11-4-3-9(7-14)6-10(11)8-15-5-1-2-12(16)17/h3-4,6,15H,1-2,5,8H2,(H,16,17)