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

Systemtic Name: 4-[4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-[2-(4-nitrophenyl)sulfonyloxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-(2-nosyloxyphenyl)-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C29H27N3O10S MolecularWeight: 609.60378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27N3O10S/c1-19-26(28(35)41-18-20-8-3-2-4-9-20)27(30-29(36)31(19)17-7-12-25(33)34)23-10-5-6-11-24(23)42-43(39,40)22-15-13-21(14-16-22)32(37)38/h2-6,8-11,13-16,27H,7,12,17-18H2,1H3,(H,30,36)(H,33,34)