2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-pyridin-4-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-pyridin-4-yl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-(4-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-4-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-pyridin-4-ylmethyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[(2,6-diketo-4,4-dimethyl-cyclohexyl)-(4-pyridyl)methyl]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4/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/h5-8,18-20H,9-12H2,1-4H3