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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=CC(=C(C=C2)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F)C(=O)O

Isomeric SMILES

C1=CC(=CN=C1)C2=CC(=C(C=C2)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F)C(=O)O

InChI

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