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

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

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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(=C(C=C2)C#N)C)OC3=CC=CC(=C3)C(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O8/c1-6-15(2)22(26(34)35)40-24-21(32(36)37)23(38-20-11-10-18(14-28)16(3)12-20)29-27(30-24)39-19-9-7-8-17(13-19)25(33)31(4)5/h7-13,15,22H,6H2,1-5H3,(H,34,35)