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

Systemtic Name: 4-[6-(3-ethoxy-4-oxidanyl-phenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]benzoic acid Openeye Name: 4-[6-(3-ethoxy-4-hydroxy-phenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid CAS Name: 4-[6-(3-ethoxy-4-hydroxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid IUPAC Name: 4-[6-(3-ethoxy-4-hydroxyphenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]benzoic acid Traditional Name: 4-[5-carbomethoxy-6-(3-ethoxy-4-hydroxy-phenyl)-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:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C3=CC=C(C=C3)C(=O)O)C)C(=O)OC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=O)N2)C3=CC=C(C=C3)C(=O)O)C)C(=O)OC)O

InChI

InChI=1S/C22H22N2O7/c1-4-31-17-11-14(7-10-16(17)25)19-18(21(28)30-3)12(2)24(22(29)23-19)15-8-5-13(6-9-15)20(26)27/h5-11,19,25H,4H2,1-3H3,(H,23,29)(H,26,27)