3-[(2-ethanoyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]-5-fluoranyl-benzoic acid

Systemtic Name: 3-[(2-ethanoyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]-5-fluoranyl-benzoic acid Openeye Name: 3-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]-5-fluoro-benzoic acid CAS Name: 3-[(2-acetyl-7-methoxy-4-benzofuranyl)-(3-pyridinylmethyl)amino]-5-fluorobenzoic acid IUPAC Name: 3-[(2-acetyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]-5-fluorobenzoic acid Traditional Name: 3-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]-5-fluoro-benzoic acid Formula: C24H19FN2O5 MolecularWeight: 434.416463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)N(CC3=CN=CC=C3)C4=CC(=CC(=C4)C(=O)O)F

Isomeric SMILES

CC(=O)C1=CC2=C(C=CC(=C2O1)OC)N(CC3=CN=CC=C3)C4=CC(=CC(=C4)C(=O)O)F

InChI

InChI=1S/C24H19FN2O5/c1-14(28)22-11-19-20(5-6-21(31-2)23(19)32-22)27(13-15-4-3-7-26-12-15)18-9-16(24(29)30)8-17(25)10-18/h3-12H,13H2,1-2H3,(H,29,30)