5-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 5-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-(4-fluorophenyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid CAS Name: 5-(4-fluorophenyl)-2-[[oxo-[[5-(3-pyridinyl)-2-benzofuranyl]methoxy]methyl]amino]benzoic acid IUPAC Name: 5-(4-fluorophenyl)-2-[(5-pyridin-3-yl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-(4-fluorophenyl)-2-[[5-(3-pyridyl)benzofuran-2-yl]methoxycarbonylamino]benzoic acid Formula: C28H19FN2O5 MolecularWeight: 482.459263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C=C(C=C4)C5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC4=C(C=C(C=C4)C5=CC=C(C=C5)F)C(=O)O

InChI

InChI=1S/C28H19FN2O5/c29-22-7-3-17(4-8-22)19-5-9-25(24(14-19)27(32)33)31-28(34)35-16-23-13-21-12-18(6-10-26(21)36-23)20-2-1-11-30-15-20/h1-15H,16H2,(H,31,34)(H,32,33)