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

Systemtic Name: 4-[[6-(4-bromophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-benzyloxycarbonyl-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Traditional Name: 4-[[6-(4-bromophenyl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]methyl]benzoic acid Formula: C27H23BrN2O5 MolecularWeight: 535.38592

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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)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)Br)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H23BrN2O5/c1-17-23(26(33)35-16-19-5-3-2-4-6-19)24(20-11-13-22(28)14-12-20)29-27(34)30(17)15-18-7-9-21(10-8-18)25(31)32/h2-14,24H,15-16H2,1H3,(H,29,34)(H,31,32)