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

Systemtic Name: 2-[1-[2-(3,4-diethoxyphenyl)ethylamino]butylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[2-(3,4-diethoxyphenyl)ethylamino]butylidene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-diethoxyphenyl)ethylamino]butylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[1-[2-(3,4-diethoxyphenyl)ethylamino]butylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[1-[2-(3,4-diethoxyphenyl)ethylamino]butylidene]-5-phenyl-cyclohexane-1,3-quinone Formula: C28H35NO4 MolecularWeight: 449.5818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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