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

Systemtic Name: dipropan-2-yl (1S,2R,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-2-yl-cyclohexane-1,3-dicarboxylate Openeye Name: diisopropyl (1S,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(2-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(2-pyridinyl)cyclohexane-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl (1S,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-pyridin-2-ylcyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3R,4S)-4-hydroxy-6-keto-4-methyl-2-(2-pyridyl)cyclohexane-1,3-dicarboxylic acid diisopropyl ester Formula: C20H27NO6 MolecularWeight: 377.43148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=CC=N2

Isomeric SMILES

CC(C)OC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC=CC=N2

InChI

InChI=1S/C20H27NO6/c1-11(2)26-18(23)16-14(22)10-20(5,25)17(19(24)27-12(3)4)15(16)13-8-6-7-9-21-13/h6-9,11-12,15-17,25H,10H2,1-5H3/t15-,16+,17-,20-/m0/s1