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

Systemtic Name: 4-[[6-(2,4-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(2,4-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(2,4-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(2,4-dichlorophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-carbomethoxy-6-(2,4-dichlorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C21H18Cl2N2O5 MolecularWeight: 449.28402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18Cl2N2O5/c1-11-17(20(28)30-2)18(15-8-7-14(22)9-16(15)23)24-21(29)25(11)10-12-3-5-13(6-4-12)19(26)27/h3-9,18H,10H2,1-2H3,(H,24,29)(H,26,27)