2-chloranyl-6-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 2-chloranyl-6-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 2-chloro-6-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid CAS Name: 2-chloro-6-[[oxo-[[5-(3-pyridinyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 2-chloro-6-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C22H15ClN2O5 MolecularWeight: 422.8179

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15ClN2O5/c23-17-4-1-5-18(20(17)21(26)27)25-22(28)29-12-16-10-15-9-13(6-7-19(15)30-16)14-3-2-8-24-11-14/h1-11H,12H2,(H,25,28)(H,26,27)