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

Systemtic Name: 4-[6-(3-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[6-(3-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[6-(3-bromophenyl)-5-[2-methoxyethoxy(oxo)methyl]-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[6-(3-bromophenyl)-5-(2-methoxyethoxycarbonyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[6-(3-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(=CC=C3)Br)C(=O)OCCOC

Isomeric SMILES

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

InChI

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