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

Systemtic Name: 4-[[6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(4-bromophenyl)-5-methoxycarbonyl-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(4-bromophenyl)-5-carbomethoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C21H19BrN2O5 MolecularWeight: 459.28996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O5/c1-12-17(20(27)29-2)18(14-7-9-16(22)10-8-14)23-21(28)24(12)11-13-3-5-15(6-4-13)19(25)26/h3-10,18H,11H2,1-2H3,(H,23,28)(H,25,26)