dimethyl 2-oxidanyl-2-(2-pyridin-2-ylethyl)propanedioate

Systemtic Name: dimethyl 2-oxidanyl-2-(2-pyridin-2-ylethyl)propanedioate Openeye Name: dimethyl 2-hydroxy-2-[2-(2-pyridyl)ethyl]propanedioate CAS Name: 2-hydroxy-2-[2-(2-pyridinyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hydroxy-2-(2-pyridin-2-ylethyl)propanedioate Traditional Name: 2-hydroxy-2-[2-(2-pyridyl)ethyl]malonic acid dimethyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC1=CC=CC=N1)(C(=O)OC)O

Isomeric SMILES

COC(=O)C(CCC1=CC=CC=N1)(C(=O)OC)O

InChI

InChI=1S/C12H15NO5/c1-17-10(14)12(16,11(15)18-2)7-6-9-5-3-4-8-13-9/h3-5,8,16H,6-7H2,1-2H3