dimethyl 2-(2-pyridin-4-ylethyl)propanedioate

Systemtic Name: dimethyl 2-(2-pyridin-4-ylethyl)propanedioate Openeye Name: dimethyl 2-[2-(4-pyridyl)ethyl]propanedioate CAS Name: 2-(2-pyridin-4-ylethyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-pyridin-4-ylethyl)propanedioate Traditional Name: 2-[2-(4-pyridyl)ethyl]malonic acid dimethyl ester Formula: C12H15NO4 MolecularWeight: 237.2518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO4/c1-16-11(14)10(12(15)17-2)4-3-9-5-7-13-8-6-9/h5-8,10H,3-4H2,1-2H3