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

Systemtic Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid Openeye Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butanoic acid CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]-3-methylbutanoic acid IUPAC Name: 2-[6-(5-cyano-2-methylphenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxy-3-methylbutanoic acid Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-3-methyl-butyric acid Formula: C26H25N5O8 MolecularWeight: 535.5054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC(C(C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=C(C(=NC(=N2)OC3=CC=CC(=C3)C(=O)N(C)C)OC(C(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O8/c1-14(2)21(25(33)34)39-23-20(31(35)36)22(38-19-11-16(13-27)10-9-15(19)3)28-26(29-23)37-18-8-6-7-17(12-18)24(32)30(4)5/h6-12,14,21H,1-5H3,(H,33,34)