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

Systemtic Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-methyl-pentanoic acid Openeye Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-methyl-pentanoic acid CAS Name: 2-[[6-(5-cyano-2-methylphenoxy)-2-[3-[dimethylamino(oxo)methyl]phenoxy]-5-nitro-4-pyrimidinyl]oxy]-4-methylpentanoic acid IUPAC Name: 2-[6-(5-cyano-2-methylphenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitropyrimidin-4-yl]oxy-4-methylpentanoic acid Traditional Name: 2-[6-(5-cyano-2-methyl-phenoxy)-2-[3-(dimethylcarbamoyl)phenoxy]-5-nitro-pyrimidin-4-yl]oxy-4-methyl-valeric acid Formula: C27H27N5O8 MolecularWeight: 549.53198

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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(CC(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(CC(C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O8/c1-15(2)11-21(26(34)35)40-24-22(32(36)37)23(39-20-12-17(14-28)10-9-16(20)3)29-27(30-24)38-19-8-6-7-18(13-19)25(33)31(4)5/h6-10,12-13,15,21H,11H2,1-5H3,(H,34,35)