diethyl 2-butyl-2-(2-pyridin-2-ylethyl)propanedioate

Systemtic Name: diethyl 2-butyl-2-(2-pyridin-2-ylethyl)propanedioate Openeye Name: diethyl 2-butyl-2-[2-(2-pyridyl)ethyl]propanedioate CAS Name: 2-butyl-2-[2-(2-pyridinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-butyl-2-(2-pyridin-2-ylethyl)propanedioate Traditional Name: 2-butyl-2-[2-(2-pyridyl)ethyl]malonic acid diethyl ester Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC1=CC=CC=N1)(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC(CCC1=CC=CC=N1)(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C18H27NO4/c1-4-7-12-18(16(20)22-5-2,17(21)23-6-3)13-11-15-10-8-9-14-19-15/h8-10,14H,4-7,11-13H2,1-3H3