2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1-(homoveratrylamino)butylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C22H31NO4 MolecularWeight: 373.48584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H31NO4/c1-6-7-16(21-17(24)13-22(2,3)14-18(21)25)23-11-10-15-8-9-19(26-4)20(12-15)27-5/h8-9,12,23H,6-7,10-11,13-14H2,1-5H3