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

Systemtic Name: 6-[6-(4-bromophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-6-(4-bromophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(4-bromophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[6-(4-bromophenyl)-5-carbobenzoxy-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C25H27BrN2O5 MolecularWeight: 515.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27BrN2O5/c1-17-22(24(31)33-16-18-8-4-2-5-9-18)23(19-11-13-20(26)14-12-19)27-25(32)28(17)15-7-3-6-10-21(29)30/h2,4-5,8-9,11-14,23H,3,6-7,10,15-16H2,1H3,(H,27,32)(H,29,30)