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

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

Isomeric SMILES

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

InChI

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