4-[(3-fluorophenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-fluorophenyl)-(pyridin-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-fluoro-N-(3-pyridylmethyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-fluoro-N-(3-pyridinylmethyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-fluoro-N-(pyridin-3-ylmethyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-fluoro-N-(3-pyridylmethyl)anilino]-4-keto-butyric acid Formula: C16H15FN2O3 MolecularWeight: 302.300303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)N(CC2=CN=CC=C2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)N(CC2=CN=CC=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C16H15FN2O3/c17-13-4-1-5-14(9-13)19(15(20)6-7-16(21)22)11-12-3-2-8-18-10-12/h1-5,8-10H,6-7,11H2,(H,21,22)