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

Systemtic Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5-phenyl-cyclohexane-1,3-dione Openeye Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5-phenyl-cyclohexane-1,3-dione CAS Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5-phenylcyclohexane-1,3-dione IUPAC Name: 2-[1-[2-(3,4-dimethoxyphenyl)ethylamino]propylidene]-5-phenylcyclohexane-1,3-dione Traditional Name: 2-[1-(homoveratrylamino)propylidene]-5-phenyl-cyclohexane-1,3-quinone Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO4/c1-4-20(26-13-12-17-10-11-23(29-2)24(14-17)30-3)25-21(27)15-19(16-22(25)28)18-8-6-5-7-9-18/h5-11,14,19,26H,4,12-13,15-16H2,1-3H3