dimethyl 2-oxidanyl-2-(2-pyridin-3-ylethyl)propanedioate

Systemtic Name: dimethyl 2-oxidanyl-2-(2-pyridin-3-ylethyl)propanedioate Openeye Name: dimethyl 2-hydroxy-2-[2-(3-pyridyl)ethyl]propanedioate CAS Name: 2-hydroxy-2-[2-(3-pyridinyl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-hydroxy-2-(2-pyridin-3-ylethyl)propanedioate Traditional Name: 2-hydroxy-2-[2-(3-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=CN=CC=C1)(C(=O)OC)O

Isomeric SMILES

COC(=O)C(CCC1=CN=CC=C1)(C(=O)OC)O

InChI

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