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

Systemtic Name: 4-[6-(2,3-dimethoxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[6-(2,3-dimethoxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[6-(2,3-dimethoxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[6-(2,3-dimethoxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[5-carbomethoxy-6-(2,3-dimethoxyphenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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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=C3)OC)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7/c1-12-17(21(27)31-4)18(15-6-5-7-16(29-2)19(15)30-3)23-22(28)24(12)14-10-8-13(9-11-14)20(25)26/h5-11,18H,1-4H3,(H,23,28)(H,25,26)