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

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(4-cyano-2-fluoro-phenyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-cyano-2-fluorophenyl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(4-cyano-2-fluoro-benzyl)amino]-3-methyl-butyric acid Formula: C13H15FN2O2 MolecularWeight: 250.268803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NCC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

CC(C)C(C(=O)O)NCC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C13H15FN2O2/c1-8(2)12(13(17)18)16-7-10-4-3-9(6-15)5-11(10)14/h3-5,8,12,16H,7H2,1-2H3,(H,17,18)