(4,4-dimethyl-1-pyridin-2-yl-pent-2-ynyl) ethanoate

Systemtic Name: (4,4-dimethyl-1-pyridin-2-yl-pent-2-ynyl) ethanoate Openeye Name: [4,4-dimethyl-1-(2-pyridyl)pent-2-ynyl] acetate CAS Name: acetic acid [4,4-dimethyl-1-(2-pyridinyl)pent-2-ynyl] ester IUPAC Name: (4,4-dimethyl-1-pyridin-2-ylpent-2-ynyl) acetate Traditional Name: acetic acid [4,4-dimethyl-1-(2-pyridyl)pent-2-ynyl] ester Formula: C14H17NO2 MolecularWeight: 231.29028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C#CC(C)(C)C)C1=CC=CC=N1

Isomeric SMILES

CC(=O)OC(C#CC(C)(C)C)C1=CC=CC=N1

InChI

InChI=1S/C14H17NO2/c1-11(16)17-13(8-9-14(2,3)4)12-7-5-6-10-15-12/h5-7,10,13H,1-4H3