(phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1-oxidanidylpyridin-1-ium-3-yl)benzoate

Systemtic Name: (phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1-oxidanidylpyridin-1-ium-3-yl)benzoate Openeye Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1-oxidopyridin-1-ium-3-yl)benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-(1-oxido-3-pyridin-1-iumyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1-oxidopyridin-1-ium-3-yl)benzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(1-oxidopyridin-1-ium-3-yl)benzoic acid benzyl ester Formula: C25H21N3O6 MolecularWeight: 459.45074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=C[N+](=CC=C4)[O-])OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=C[N+](=CC=C4)[O-])OC

InChI

InChI=1S/C25H21N3O6/c1-31-21-14-22(32-2)27-25(26-21)34-20-12-6-11-19(18-10-7-13-28(30)15-18)23(20)24(29)33-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3