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

Systemtic Name: 3-[(3-fluoranyl-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[3-fluoro-4-methoxy-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[3-fluoro-4-methoxy-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[3-fluoro-4-methoxy-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[3-fluoro-4-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=C(C=C1)N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)F

Isomeric SMILES

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

InChI

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