4-[5-[2-[(3-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyridin-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-[(3-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]pyridin-2-yl]benzoic acid Openeye Name: 4-[5-[2-[(3-fluorophenyl)methylamino]-2-oxo-ethyl]-2-pyridyl]benzoic acid CAS Name: 4-[5-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-2-pyridinyl]benzoic acid IUPAC Name: 4-[5-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]pyridin-2-yl]benzoic acid Traditional Name: 4-[5-[2-[(3-fluorobenzyl)amino]-2-keto-ethyl]-2-pyridyl]benzoic acid Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)CNC(=O)CC2=CN=C(C=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)CNC(=O)CC2=CN=C(C=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17FN2O3/c22-18-3-1-2-14(10-18)13-24-20(25)11-15-4-9-19(23-12-15)16-5-7-17(8-6-16)21(26)27/h1-10,12H,11,13H2,(H,24,25)(H,26,27)