2-[[2-(5-cyano-2-phenylmethoxycarbonyl-phenoxy)-6-(3-ethoxycarbonyl-5-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]-3-oxidanyl-butanoic acid

Systemtic Name: 2-[[2-(5-cyano-2-phenylmethoxycarbonyl-phenoxy)-6-(3-ethoxycarbonyl-5-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-(2-benzyloxycarbonyl-5-cyano-phenoxy)-6-(3-ethoxycarbonyl-5-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-(5-cyano-2-phenylmethoxycarbonylphenoxy)-6-(3-ethoxycarbonyl-5-methylphenoxy)-5-nitro-4-pyrimidinyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-(5-cyano-2-phenylmethoxycarbonylphenoxy)-6-(3-ethoxycarbonyl-5-methylphenoxy)-5-nitropyrimidin-4-yl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-(3-carbethoxy-5-methyl-phenoxy)-2-(2-carbobenzoxy-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]amino]-3-hydroxy-butyric acid Formula: C33H29N5O11 MolecularWeight: 671.61026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(C(C)O)C(=O)O)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=NC(=NC(=C2[N+](=O)[O-])NC(C(C)O)C(=O)O)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C33H29N5O11/c1-4-46-31(42)22-12-18(2)13-23(15-22)48-29-27(38(44)45)28(35-26(19(3)39)30(40)41)36-33(37-29)49-25-14-21(16-34)10-11-24(25)32(43)47-17-20-8-6-5-7-9-20/h5-15,19,26,39H,4,17H2,1-3H3,(H,40,41)(H,35,36,37)