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

Systemtic Name: 4-[6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[6-(3-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[5-carbomethoxy-6-(3-fluorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C20H17FN2O5 MolecularWeight: 384.357783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C20H17FN2O5/c1-11-16(19(26)28-2)17(13-4-3-5-14(21)10-13)22-20(27)23(11)15-8-6-12(7-9-15)18(24)25/h3-10,17H,1-2H3,(H,22,27)(H,24,25)