4-[2-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]-1-(phenylmethyl)piperidine-2,6-dione

Systemtic Name: 4-[2-(3,5-dimethyl-2-oxidanylidene-cyclohexyl)-2-oxidanyl-ethyl]-1-(phenylmethyl)piperidine-2,6-dione Openeye Name: 1-benzyl-4-[2-(3,5-dimethyl-2-oxo-cyclohexyl)-2-hydroxy-ethyl]piperidine-2,6-dione CAS Name: 4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]-1-(phenylmethyl)piperidine-2,6-dione IUPAC Name: 1-benzyl-4-[2-(3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl]piperidine-2,6-dione Traditional Name: 1-benzyl-4-[2-hydroxy-2-(2-keto-3,5-dimethyl-cyclohexyl)ethyl]piperidine-2,6-quinone Formula: C22H29NO4 MolecularWeight: 371.46996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)C

Isomeric SMILES

CC1CC(C(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)C

InChI

InChI=1S/C22H29NO4/c1-14-8-15(2)22(27)18(9-14)19(24)10-17-11-20(25)23(21(26)12-17)13-16-6-4-3-5-7-16/h3-7,14-15,17-19,24H,8-13H2,1-2H3