2-[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid

Systemtic Name: 2-[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid Openeye Name: 2-[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-pentanoic acid CAS Name: 2-[[2-(5-cyano-2-methoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]-5-methoxyphenoxy]-5-nitro-4-pyrimidinyl]oxy]-3-methylpentanoic acid IUPAC Name: 2-[2-(5-cyano-2-methoxyphenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxyphenoxy]-5-nitropyrimidin-4-yl]oxy-3-methylpentanoic acid Traditional Name: 2-[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-valeric acid Formula: C28H29N5O10 MolecularWeight: 595.55736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)N(C)C)OC)OC3=C(C=CC(=C3)C#N)OC

Isomeric SMILES

CCC(C)C(C(=O)O)OC1=NC(=NC(=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)N(C)C)OC)OC3=C(C=CC(=C3)C#N)OC

InChI

InChI=1S/C28H29N5O10/c1-7-15(2)23(27(35)36)43-25-22(33(37)38)24(41-19-12-17(26(34)32(3)4)11-18(13-19)39-5)30-28(31-25)42-21-10-16(14-29)8-9-20(21)40-6/h8-13,15,23H,7H2,1-6H3,(H,35,36)