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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]butylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[1-(homoveratrylamino)butylidene]-5-phenyl-cyclohexane-1,3-quinone Formula: C26H31NO4 MolecularWeight: 421.52864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2=CC=CC=C2)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H31NO4/c1-4-8-21(27-14-13-18-11-12-24(30-2)25(15-18)31-3)26-22(28)16-20(17-23(26)29)19-9-6-5-7-10-19/h5-7,9-12,15,20,27H,4,8,13-14,16-17H2,1-3H3