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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1=C(C=C(C=C1)C2=CN=CC=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F

Isomeric SMILES

COC(=O)N(C1=C(C=C(C=C1)C2=CN=CC=C2)C(=O)O)C3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H19FN2O5/c1-35-28(34)31(24-10-6-19(14-23(24)27(32)33)20-3-2-12-30-16-20)26-15-21-13-18(7-11-25(21)36-26)17-4-8-22(29)9-5-17/h2-16H,1H3,(H,32,33)