4-[(6R)-6-(2-chloranyl-6-fluoranyl-phenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid

Systemtic Name: 4-[(6R)-6-(2-chloranyl-6-fluoranyl-phenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[(6R)-6-(2-chloro-6-fluoro-phenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[(6R)-6-(2-chloro-6-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[(6R)-6-(2-chloro-6-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[(6R)-5-carbomethoxy-6-(2-chloro-6-fluoro-phenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C20H16ClFN2O5 MolecularWeight: 418.802843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)O)C3=C(C=CC=C3Cl)F)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C2=CC=C(C=C2)C(=O)O)C3=C(C=CC=C3Cl)F)C(=O)OC

InChI

InChI=1S/C20H16ClFN2O5/c1-10-15(19(27)29-2)17(16-13(21)4-3-5-14(16)22)23-20(28)24(10)12-8-6-11(7-9-12)18(25)26/h3-9,17H,1-2H3,(H,23,28)(H,25,26)/t17-/m1/s1