2-[(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-pyridin-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[(S)-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-pyridin-3-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-(3-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-(3-pyridinyl)methyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(S)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-pyridin-3-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(S)-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-(3-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)[C@@H](C2=CN=CC=C2)C3=C(CC(CC3=O)(C)C)O)C

InChI

InChI=1S/C22H27NO4/c1-21(2)8-14(24)19(15(25)9-21)18(13-6-5-7-23-12-13)20-16(26)10-22(3,4)11-17(20)27/h5-7,12,18-19,26H,8-11H2,1-4H3/t18-/m1/s1