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

Systemtic Name: 2-chloranyl-6-[(5-pyrimidin-5-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 2-chloro-6-[(5-pyrimidin-5-ylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid CAS Name: 2-chloro-6-[[oxo-[[5-(5-pyrimidinyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 2-chloro-6-[(5-pyrimidin-5-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 2-chloro-6-[[5-(5-pyrimidyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C21H14ClN3O5 MolecularWeight: 423.80596

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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=CN=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3O5/c22-16-2-1-3-17(19(16)20(26)27)25-21(28)29-10-15-7-13-6-12(4-5-18(13)30-15)14-8-23-11-24-9-14/h1-9,11H,10H2,(H,25,28)(H,26,27)