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

Systemtic Name: ditert-butyl 4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-2-yl-cyclohexane-1,3-dicarboxylate Openeye Name: ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-(2-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: 4-hydroxy-4-methyl-6-oxo-2-(2-pyridinyl)cyclohexane-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-2-ylcyclohexane-1,3-dicarboxylate Traditional Name: 4-hydroxy-6-keto-4-methyl-2-(2-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=CC=CC=N2)C(=O)OC(C)(C)C)O

Isomeric SMILES

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

InChI

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