1-(5-ethanoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate

Systemtic Name: 1-(5-ethanoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate Openeye Name: 1-(5-acetyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate CAS Name: 1-(5-acetyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate IUPAC Name: 1-(5-acetyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate Traditional Name: 1-(5-acetyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)ethanone hydrate Formula: C11H17NO3 MolecularWeight: 211.25758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)C(=O)C)C(=O)C.O

Isomeric SMILES

CC1=C(CC(=C(N1)C)C(=O)C)C(=O)C.O

InChI

InChI=1S/C11H15NO2.H2O/c1-6-10(8(3)13)5-11(9(4)14)7(2)12-6;/h12H,5H2,1-4H3;1H2