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

Systemtic Name: 4-[4-methyl-6-[2-(4-nitrophenyl)carbonyloxyphenyl]-2-oxidanylidene-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Openeye Name: 4-[5-benzyloxycarbonyl-4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid CAS Name: 4-[4-methyl-6-[2-[(4-nitrophenyl)-oxomethoxy]phenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid IUPAC Name: 4-[4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-2-oxo-5-phenylmethoxycarbonyl-1,6-dihydropyrimidin-3-yl]butanoic acid Traditional Name: 4-[5-carbobenzoxy-2-keto-4-methyl-6-[2-(4-nitrobenzoyl)oxyphenyl]-1,6-dihydropyrimidin-3-yl]butyric acid Formula: C30H27N3O9 MolecularWeight: 573.55008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=CC=C2OC(=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=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O9/c1-19-26(29(37)41-18-20-8-3-2-4-9-20)27(31-30(38)32(19)17-7-12-25(34)35)23-10-5-6-11-24(23)42-28(36)21-13-15-22(16-14-21)33(39)40/h2-6,8-11,13-16,27H,7,12,17-18H2,1H3,(H,31,38)(H,34,35)