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

Systemtic Name: 6-[6-(2-chlorophenyl)-4-methyl-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-6-(2-chlorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[6-(2-chlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[6-(2-chlorophenyl)-4-methyl-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-6-(2-chlorophenyl)-2-keto-4-methyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C25H27ClN2O5 MolecularWeight: 470.94528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=CC=C2Cl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27ClN2O5/c1-17-22(24(31)33-16-18-10-4-2-5-11-18)23(19-12-7-8-13-20(19)26)27-25(32)28(17)15-9-3-6-14-21(29)30/h2,4-5,7-8,10-13,23H,3,6,9,14-16H2,1H3,(H,27,32)(H,29,30)