4-[(4-fluoranyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 4-[(4-fluoranyl-3-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 4-[4-fluoro-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 4-[4-fluoro-3-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 4-[4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 4-[4-fluoro-3-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C20H17FN2O3 MolecularWeight: 352.358983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

COC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C20H17FN2O3/c1-26-19-11-17(8-9-18(19)21)23(13-14-3-2-10-22-12-14)16-6-4-15(5-7-16)20(24)25/h2-12H,13H2,1H3,(H,24,25)