ethyl 5-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylate Openeye Name: ethyl 5-(3-hydroxy-3-methyl-but-1-ynyl)pyridine-3-carboxylate CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-hydroxy-3-methylbut-1-ynyl)pyridine-3-carboxylate Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)nicotinic acid ethyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=CC(=C1)C#CC(C)(C)O

Isomeric SMILES

CCOC(=O)C1=CN=CC(=C1)C#CC(C)(C)O

InChI

InChI=1S/C13H15NO3/c1-4-17-12(15)11-7-10(8-14-9-11)5-6-13(2,3)16/h7-9,16H,4H2,1-3H3