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

Systemtic Name: 4-[6-(4-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[6-(4-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[6-(4-bromophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[6-(4-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[6-(4-bromophenyl)-2-keto-5-(2-methoxyethoxycarbonyl)-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C22H21BrN2O6 MolecularWeight: 489.31594

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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=C(C=C3)Br)C(=O)OCCOC

Isomeric SMILES

CC1=C(C(NC(=O)N1C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br)C(=O)OCCOC

InChI

InChI=1S/C22H21BrN2O6/c1-13-18(21(28)31-12-11-30-2)19(14-3-7-16(23)8-4-14)24-22(29)25(13)17-9-5-15(6-10-17)20(26)27/h3-10,19H,11-12H2,1-2H3,(H,24,29)(H,26,27)