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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6/c1-20(2,3)28-18(25)16-14(24)11-22(7,27)17(19(26)29-21(4,5)6)15(16)13-9-8-10-23-12-13/h8-10,12,15-17,27H,11H2,1-7H3/t15-,16-,17+,22+/m1/s1