5-methyl-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 5-methyl-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-methyl-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid CAS Name: 5-methyl-2-[[oxo-[[5-(3-pyridinyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-methyl-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C23H18N2O5 MolecularWeight: 402.39942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C23H18N2O5/c1-14-4-6-20(19(9-14)22(26)27)25-23(28)29-13-18-11-17-10-15(5-7-21(17)30-18)16-3-2-8-24-12-16/h2-12H,13H2,1H3,(H,25,28)(H,26,27)