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

Systemtic Name: 3-[(2-ethanoyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]benzoic acid CAS Name: 3-[(2-acetyl-7-methoxy-4-benzofuranyl)-(3-pyridinylmethyl)amino]benzoic acid IUPAC Name: 3-[(2-acetyl-7-methoxy-1-benzofuran-4-yl)-(pyridin-3-ylmethyl)amino]benzoic acid Traditional Name: 3-[(2-acetyl-7-methoxy-benzofuran-4-yl)-(3-pyridylmethyl)amino]benzoic acid Formula: C24H20N2O5 MolecularWeight: 416.426

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5/c1-15(27)22-12-19-20(8-9-21(30-2)23(19)31-22)26(14-16-5-4-10-25-13-16)18-7-3-6-17(11-18)24(28)29/h3-13H,14H2,1-2H3,(H,28,29)