(phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pyridin-3-yl-benzoate

Systemtic Name: (phenylmethyl) 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pyridin-3-yl-benzoate Openeye Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(3-pyridyl)benzoate CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-6-(3-pyridinyl)benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-pyridin-3-ylbenzoate Traditional Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-(3-pyridyl)benzoic acid benzyl ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC2=CC=CC(=C2C(=O)OCC3=CC=CC=C3)C4=CN=CC=C4)OC

InChI

InChI=1S/C25H21N3O5/c1-30-21-14-22(31-2)28-25(27-21)33-20-12-6-11-19(18-10-7-13-26-15-18)23(20)24(29)32-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3