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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC(=CC=C3)OC)C(=O)OC

InChI

InChI=1S/C22H22N2O6/c1-13-18(21(27)30-3)19(16-5-4-6-17(11-16)29-2)23-22(28)24(13)12-14-7-9-15(10-8-14)20(25)26/h4-11,19H,12H2,1-3H3,(H,23,28)(H,25,26)