2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexyl)-pyridin-4-yl-methyl]-5,5-dimethyl-3-oxidanyl-cyclohexan-1-one

Systemtic Name: 2-[(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexyl)-pyridin-4-yl-methyl]-5,5-dimethyl-3-oxidanyl-cyclohexan-1-one Openeye Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexyl)-(4-pyridyl)methyl]-5,5-dimethyl-cyclohexanone CAS Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-pyridin-4-ylmethyl]-5,5-dimethyl-1-cyclohexanone IUPAC Name: 3-hydroxy-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexyl)-pyridin-4-ylmethyl]-5,5-dimethylcyclohexan-1-one Traditional Name: 3-hydroxy-2-[(2-hydroxy-6-keto-4,4-dimethyl-cyclohexyl)-(4-pyridyl)methyl]-5,5-dimethyl-cyclohexanone Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C(C(=O)C1)C(C2C(CC(CC2=O)(C)C)O)C3=CC=NC=C3)O)C

Isomeric SMILES

CC1(CC(C(C(=O)C1)C(C2C(CC(CC2=O)(C)C)O)C3=CC=NC=C3)O)C

InChI

InChI=1S/C22H31NO4/c1-21(2)9-14(24)19(15(25)10-21)18(13-5-7-23-8-6-13)20-16(26)11-22(3,4)12-17(20)27/h5-8,14,16,18-20,24,26H,9-12H2,1-4H3