tert-butyl 3-(2-pyrrolidin-2-ylethynyl)-2H-pyridine-1-carboxylate

Systemtic Name: tert-butyl 3-(2-pyrrolidin-2-ylethynyl)-2H-pyridine-1-carboxylate Openeye Name: tert-butyl 3-(2-pyrrolidin-2-ylethynyl)-2H-pyridine-1-carboxylate CAS Name: 3-[2-(2-pyrrolidinyl)ethynyl]-2H-pyridine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-pyrrolidin-2-ylethynyl)-2H-pyridine-1-carboxylate Traditional Name: 3-(2-pyrrolidin-2-ylethynyl)-2H-pyridine-1-carboxylic acid tert-butyl ester Formula: C16H22N2O2 MolecularWeight: 274.35808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=CC=C1)C#CC2CCCN2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=CC=C1)C#CC2CCCN2

InChI

InChI=1S/C16H22N2O2/c1-16(2,3)20-15(19)18-11-5-6-13(12-18)8-9-14-7-4-10-17-14/h5-6,11,14,17H,4,7,10,12H2,1-3H3