2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethyl-carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylimino]propyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-ethylcarbonimidoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-(C-ethyl-N-homoveratryl-carbonimidoyl)-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H29NO4 MolecularWeight: 359.45926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCCC1=CC(=C(C=C1)OC)OC)C2C(=O)CC(CC2=O)(C)C

Isomeric SMILES

CCC(=NCCC1=CC(=C(C=C1)OC)OC)C2C(=O)CC(CC2=O)(C)C

InChI

InChI=1S/C21H29NO4/c1-6-15(20-16(23)12-21(2,3)13-17(20)24)22-10-9-14-7-8-18(25-4)19(11-14)26-5/h7-8,11,20H,6,9-10,12-13H2,1-5H3