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

Systemtic Name: bis(2-methylpropyl) (1R,2R,3R,4S)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-3-yl-cyclohexane-1,3-dicarboxylate Openeye Name: diisobutyl (1R,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(3-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: (1R,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)cyclohexane-1,3-dicarboxylic acid bis(2-methylpropyl) ester IUPAC Name: bis(2-methylpropyl) (1R,2R,3R,4S)-4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate Traditional Name: (1R,2R,3R,4S)-4-hydroxy-6-keto-4-methyl-2-(3-pyridyl)cyclohexane-1,3-dicarboxylic acid diisobutyl ester Formula: C22H31NO6 MolecularWeight: 405.48464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CN=CC=C2

Isomeric SMILES

CC(C)COC(=O)[C@@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)OCC(C)C)C2=CN=CC=C2

InChI

InChI=1S/C22H31NO6/c1-13(2)11-28-20(25)18-16(24)9-22(5,27)19(21(26)29-12-14(3)4)17(18)15-7-6-8-23-10-15/h6-8,10,13-14,17-19,27H,9,11-12H2,1-5H3/t17-,18-,19-,22-/m0/s1