4-[5-ethoxycarbonyl-6-(4-fluorophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid

Systemtic Name: 4-[5-ethoxycarbonyl-6-(4-fluorophenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[5-ethoxycarbonyl-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[5-ethoxycarbonyl-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[5-ethoxycarbonyl-6-(4-fluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[5-carbethoxy-6-(4-fluorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C21H19FN2O5 MolecularWeight: 398.384363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C21H19FN2O5/c1-3-29-20(27)17-12(2)24(16-10-6-14(7-11-16)19(25)26)21(28)23-18(17)13-4-8-15(22)9-5-13/h4-11,18H,3H2,1-2H3,(H,23,28)(H,25,26)