2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[2-(3,4-diethoxyphenyl)-1-(phenethylamino)ethylidene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)NCCC3=CC=CC=C3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=C2C(=O)CC(CC2=O)(C)C)NCCC3=CC=CC=C3)OCC

InChI

InChI=1S/C28H35NO4/c1-5-32-25-13-12-21(17-26(25)33-6-2)16-22(29-15-14-20-10-8-7-9-11-20)27-23(30)18-28(3,4)19-24(27)31/h7-13,17,29H,5-6,14-16,18-19H2,1-4H3