2-[(4-cyano-2-fluoranyl-phenyl)amino]pentanoic acid

Systemtic Name: 2-[(4-cyano-2-fluoranyl-phenyl)amino]pentanoic acid Openeye Name: 2-(4-cyano-2-fluoro-anilino)pentanoic acid CAS Name: 2-(4-cyano-2-fluoroanilino)pentanoic acid IUPAC Name: 2-(4-cyano-2-fluoroanilino)pentanoic acid Traditional Name: 2-(4-cyano-2-fluoro-anilino)valeric acid Formula: C12H13FN2O2 MolecularWeight: 236.242223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13FN2O2/c1-2-3-11(12(16)17)15-10-5-4-8(7-14)6-9(10)13/h4-6,11,15H,2-3H2,1H3,(H,16,17)