ethyl 6-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-(3-methyl-3-oxidanyl-but-1-ynyl)pyridine-3-carboxylate Openeye Name: ethyl 6-(3-hydroxy-3-methyl-but-1-ynyl)pyridine-3-carboxylate CAS Name: 6-(3-hydroxy-3-methylbut-1-ynyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-hydroxy-3-methylbut-1-ynyl)pyridine-3-carboxylate Traditional Name: 6-(3-hydroxy-3-methyl-but-1-ynyl)nicotinic acid ethyl ester Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO3/c1-4-17-12(15)10-5-6-11(14-9-10)7-8-13(2,3)16/h5-6,9,16H,4H2,1-3H3