3-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]propanoic acid

Systemtic Name: 3-[3-cyano-4-(dimethylamino)-2-fluoranyl-phenyl]propanoic acid Openeye Name: 3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]propanoic acid CAS Name: 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]propanoic acid IUPAC Name: 3-[3-cyano-4-(dimethylamino)-2-fluorophenyl]propanoic acid Traditional Name: 3-[3-cyano-4-(dimethylamino)-2-fluoro-phenyl]propionic acid Formula: C12H13FN2O2 MolecularWeight: 236.242223

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C(=C(C=C1)CCC(=O)O)F)C#N

Isomeric SMILES

CN(C)C1=C(C(=C(C=C1)CCC(=O)O)F)C#N

InChI

InChI=1S/C12H13FN2O2/c1-15(2)10-5-3-8(4-6-11(16)17)12(13)9(10)7-14/h3,5H,4,6H2,1-2H3,(H,16,17)