O1-ethyl O3-(3-methyl-1-pyridin-3-yl-pent-1-yn-3-yl) propanedioate

Systemtic Name: O1-ethyl O3-(3-methyl-1-pyridin-3-yl-pent-1-yn-3-yl) propanedioate Openeye Name: O1-ethyl O3-[1-ethyl-1-methyl-3-(3-pyridyl)prop-2-ynyl] propanedioate CAS Name: propanedioic acid O1-ethyl ester O3-[3-methyl-1-(3-pyridinyl)pent-1-yn-3-yl] ester IUPAC Name: 1-O-ethyl 3-O-(3-methyl-1-pyridin-3-ylpent-1-yn-3-yl) propanedioate Traditional Name: malonic acid O1-ethyl ester O3-[1-ethyl-1-methyl-3-(3-pyridyl)prop-2-ynyl] ester Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#CC1=CN=CC=C1)OC(=O)CC(=O)OCC

Isomeric SMILES

CCC(C)(C#CC1=CN=CC=C1)OC(=O)CC(=O)OCC

InChI

InChI=1S/C16H19NO4/c1-4-16(3,9-8-13-7-6-10-17-12-13)21-15(19)11-14(18)20-5-2/h6-7,10,12H,4-5,11H2,1-3H3