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

Systemtic Name: 2-[2-(5-cyano-2-phenylmethoxycarbonyl-phenoxy)-6-(3-ethoxycarbonyl-5-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-3-oxidanyl-butanoic acid Openeye Name: 2-[2-(2-benzyloxycarbonyl-5-cyano-phenoxy)-6-(3-ethoxycarbonyl-5-methyl-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butanoic acid CAS Name: 2-[[2-(5-cyano-2-phenylmethoxycarbonylphenoxy)-6-(3-ethoxycarbonyl-5-methylphenoxy)-5-nitro-4-pyrimidinyl]oxy]-3-hydroxybutanoic acid IUPAC Name: 2-[2-(5-cyano-2-phenylmethoxycarbonylphenoxy)-6-(3-ethoxycarbonyl-5-methylphenoxy)-5-nitropyrimidin-4-yl]oxy-3-hydroxybutanoic acid Traditional Name: 2-[6-(3-carbethoxy-5-methyl-phenoxy)-2-(2-carbobenzoxy-5-cyano-phenoxy)-5-nitro-pyrimidin-4-yl]oxy-3-hydroxy-butyric acid Formula: C33H28N4O12 MolecularWeight: 672.59502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC(C(C)O)C(=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)OC2=C(C(=NC(=N2)OC3=C(C=CC(=C3)C#N)C(=O)OCC4=CC=CC=C4)OC(C(C)O)C(=O)O)[N+](=O)[O-])C

InChI

InChI=1S/C33H28N4O12/c1-4-45-31(41)22-12-18(2)13-23(15-22)47-28-26(37(43)44)29(49-27(19(3)38)30(39)40)36-33(35-28)48-25-14-21(16-34)10-11-24(25)32(42)46-17-20-8-6-5-7-9-20/h5-15,19,27,38H,4,17H2,1-3H3,(H,39,40)