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

Systemtic Name: 4-[6-(4-bromophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[6-(4-bromophenyl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C23H23BrN2O5 MolecularWeight: 487.34312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H23BrN2O5/c1-15-20(22(29)31-14-16-6-3-2-4-7-16)21(17-9-11-18(24)12-10-17)25-23(30)26(15)13-5-8-19(27)28/h2-4,6-7,9-12,21H,5,8,13-14H2,1H3,(H,25,30)(H,27,28)