methyl 2-(4-methoxy-3-methyl-3-oxidanyl-4-oxidanylidene-butyl)pyridine-3-carboxylate

Systemtic Name: methyl 2-(4-methoxy-3-methyl-3-oxidanyl-4-oxidanylidene-butyl)pyridine-3-carboxylate Openeye Name: methyl 2-(3-hydroxy-4-methoxy-3-methyl-4-oxo-butyl)pyridine-3-carboxylate CAS Name: 2-(3-hydroxy-4-methoxy-3-methyl-4-oxobutyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-hydroxy-4-methoxy-3-methyl-4-oxobutyl)pyridine-3-carboxylate Traditional Name: 2-(3-hydroxy-4-keto-4-methoxy-3-methyl-butyl)nicotinic acid methyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=C(C=CC=N1)C(=O)OC)(C(=O)OC)O

Isomeric SMILES

CC(CCC1=C(C=CC=N1)C(=O)OC)(C(=O)OC)O

InChI

InChI=1S/C13H17NO5/c1-13(17,12(16)19-3)7-6-10-9(11(15)18-2)5-4-8-14-10/h4-5,8,17H,6-7H2,1-3H3