5-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-2-phenyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-2-phenyl-pyrimidine-4-carboxylic acid Openeye Name: 5-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]-2-phenyl-pyrimidine-4-carboxylic acid CAS Name: 5-[[[5-(4-fluorophenyl)-2-benzofuranyl]methoxy-oxomethyl]amino]-2-phenyl-4-pyrimidinecarboxylic acid IUPAC Name: 5-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-2-phenylpyrimidine-4-carboxylic acid Traditional Name: 5-[[5-(4-fluorophenyl)benzofuran-2-yl]methoxycarbonylamino]-2-phenyl-pyrimidine-4-carboxylic acid Formula: C27H18FN3O5 MolecularWeight: 483.447323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)NC(=O)OCC3=CC4=C(O3)C=CC(=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H18FN3O5/c28-20-9-6-16(7-10-20)18-8-11-23-19(12-18)13-21(36-23)15-35-27(34)30-22-14-29-25(31-24(22)26(32)33)17-4-2-1-3-5-17/h1-14H,15H2,(H,30,34)(H,32,33)