dimethyl 2-[2-[4-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-(4-fluorophenyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[4-(4-fluorophenyl)-6-oxo-pyrimidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[4-(4-fluorophenyl)-6-oxo-1-pyrimidinyl]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[4-(4-fluorophenyl)-6-keto-pyrimidin-1-yl]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C22H18FN3O6 MolecularWeight: 439.393223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CN2C=NC(=CC2=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H18FN3O6/c1-31-21(29)14-5-8-16(22(30)32-2)18(9-14)25-19(27)11-26-12-24-17(10-20(26)28)13-3-6-15(23)7-4-13/h3-10,12H,11H2,1-2H3,(H,25,27)