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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[1-(homoveratrylamino)propylidene]-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(=C1C(=O)CC(CC1=O)(C)C)NCCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

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

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/h7-8,11,22H,6,9-10,12-13H2,1-5H3