6-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-3-[1-(phenylcarbonyloxy)ethyl]-1,6-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 6-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-3-[1-(phenylcarbonyloxy)ethyl]-1,6-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-(1-benzoyloxyethyl)-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid CAS Name: 3-(1-benzoyloxyethyl)-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-(1-benzoyloxyethyl)-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-(1-benzoyloxyethyl)-2-keto-6-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C(C)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC1=C(C(NC(=O)N1C(C)OC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H22N2O6/c1-13-18(20(25)26)19(15-9-11-17(29-3)12-10-15)23-22(28)24(13)14(2)30-21(27)16-7-5-4-6-8-16/h4-12,14,19H,1-3H3,(H,23,28)(H,25,26)