ethyl (1S,2S,5E,6R)-5-[ethoxy(oxidanyl)methylidene]-2-methyl-2-oxidanyl-4-oxidanylidene-6-pyridin-4-yl-cyclohexane-1-carboxylate

Systemtic Name: ethyl (1S,2S,5E,6R)-5-[ethoxy(oxidanyl)methylidene]-2-methyl-2-oxidanyl-4-oxidanylidene-6-pyridin-4-yl-cyclohexane-1-carboxylate Openeye Name: ethyl (1S,2S,5E,6R)-5-[ethoxy(hydroxy)methylene]-2-hydroxy-2-methyl-4-oxo-6-(4-pyridyl)cyclohexanecarboxylate CAS Name: (1S,2S,5E,6R)-5-[ethoxy(hydroxy)methylidene]-2-hydroxy-2-methyl-4-oxo-6-pyridin-4-yl-1-cyclohexanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S,5E,6R)-5-[ethoxy(hydroxy)methylidene]-2-hydroxy-2-methyl-4-oxo-6-pyridin-4-ylcyclohexane-1-carboxylate Traditional Name: (1S,2S,5E,6R)-5-[ethoxy(hydroxy)methylene]-2-hydroxy-4-keto-2-methyl-6-(4-pyridyl)cyclohexanecarboxylic acid ethyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(O)OCC)C(=O)CC1(C)O)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](/C(=C(/O)\OCC)/C(=O)C[C@]1(C)O)C2=CC=NC=C2

InChI

InChI=1S/C18H23NO6/c1-4-24-16(21)14-12(20)10-18(3,23)15(17(22)25-5-2)13(14)11-6-8-19-9-7-11/h6-9,13,15,21,23H,4-5,10H2,1-3H3/b16-14-/t13-,15-,18+/m1/s1