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

Systemtic Name: 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[5-ethoxycarbonyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[5-carbethoxy-2-keto-6-(4-methoxyphenyl)-4-methyl-1,6-dihydropyrimidin-3-yl]benzoic acid Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C22H22N2O6/c1-4-30-21(27)18-13(2)24(16-9-5-15(6-10-16)20(25)26)22(28)23-19(18)14-7-11-17(29-3)12-8-14/h5-12,19H,4H2,1-3H3,(H,23,28)(H,25,26)