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

Systemtic Name: 6-[4-methyl-6-(3-nitrophenyl)-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Openeye Name: 6-[5-benzyloxycarbonyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidin-3-yl]hexanoic acid CAS Name: 6-[4-methyl-6-(3-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid IUPAC Name: 6-[4-methyl-6-(3-nitrophenyl)-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]hexanoic acid Traditional Name: 6-[5-carbobenzoxy-2-keto-4-methyl-6-(3-nitrophenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Formula: C25H27N3O7 MolecularWeight: 481.49778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O7/c1-17-22(24(31)35-16-18-9-4-2-5-10-18)23(19-11-8-12-20(15-19)28(33)34)26-25(32)27(17)14-7-3-6-13-21(29)30/h2,4-5,8-12,15,23H,3,6-7,13-14,16H2,1H3,(H,26,32)(H,29,30)