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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C(=CC=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C(=CC=C4)Cl)C(=O)O

InChI

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