diethyl (1R,2S,3S,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-4-yl-cyclohexane-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2S,3S,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-4-yl-cyclohexane-1,3-dicarboxylate Openeye Name: diethyl (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-(4-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-pyridin-4-ylcyclohexane-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2S,3S,4S)-4-hydroxy-4-methyl-6-oxo-2-pyridin-4-ylcyclohexane-1,3-dicarboxylate Traditional Name: (1R,2S,3S,4S)-4-hydroxy-6-keto-4-methyl-2-(4-pyridyl)cyclohexane-1,3-dicarboxylic acid diethyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)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/h6-9,13-15,23H,4-5,10H2,1-3H3/t13-,14+,15-,18+/m1/s1