1-methyl-6-oxidanylidene-2-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-5-carboxylic acid

Systemtic Name: 1-methyl-6-oxidanylidene-2-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(2-benzyloxyphenyl)ethyl]-1-methyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-methyl-6-oxo-2-[2-(2-phenylmethoxyphenyl)ethyl]-5-pyrimidinecarboxylic acid IUPAC Name: 1-methyl-6-oxo-2-[2-(2-phenylmethoxyphenyl)ethyl]pyrimidine-5-carboxylic acid Traditional Name: 2-[2-(2-benzoxyphenyl)ethyl]-6-keto-1-methyl-pyrimidine-5-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=C(C1=O)C(=O)O)CCC2=CC=CC=C2OCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC=C(C1=O)C(=O)O)CCC2=CC=CC=C2OCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4/c1-23-19(22-13-17(20(23)24)21(25)26)12-11-16-9-5-6-10-18(16)27-14-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,25,26)