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

Systemtic Name: 2-[[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-(5-cyano-2-methoxyphenoxy)-6-[3-[dimethylamino(oxo)methyl]-5-methoxyphenoxy]-5-nitro-4-pyrimidinyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(5-cyano-2-methoxyphenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxyphenoxy]-5-nitropyrimidin-4-yl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-(5-cyano-2-methoxy-phenoxy)-6-[3-(dimethylcarbamoyl)-5-methoxy-phenoxy]-5-nitro-pyrimidin-4-yl]amino]-3-methyl-valeric acid Formula: C28H30N6O9 MolecularWeight: 594.5726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)OC)OC3=CC(=CC(=C3)C(=O)N(C)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C(C(=O)O)NC1=C(C(=NC(=N1)OC2=C(C=CC(=C2)C#N)OC)OC3=CC(=CC(=C3)C(=O)N(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O9/c1-7-15(2)22(27(36)37)30-24-23(34(38)39)25(42-19-12-17(26(35)33(3)4)11-18(13-19)40-5)32-28(31-24)43-21-10-16(14-29)8-9-20(21)41-6/h8-13,15,22H,7H2,1-6H3,(H,36,37)(H,30,31,32)