2-[[(4-butoxy-3-methoxy-phenyl)methylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione

Systemtic Name: 2-[[(4-butoxy-3-methoxy-phenyl)methylamino]methylidene]-5,5-dimethyl-cyclohexane-1,3-dione Openeye Name: 2-[[(4-butoxy-3-methoxy-phenyl)methylamino]methylene]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[[(4-butoxy-3-methoxyphenyl)methylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[[(4-butoxy-3-methoxyphenyl)methylamino]methylidene]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 2-[[(4-butoxy-3-methoxy-benzyl)amino]methylene]-5,5-dimethyl-cyclohexane-1,3-quinone Formula: C21H29NO4 MolecularWeight: 359.45926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC=C2C(=O)CC(CC2=O)(C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC=C2C(=O)CC(CC2=O)(C)C)OC

InChI

InChI=1S/C21H29NO4/c1-5-6-9-26-19-8-7-15(10-20(19)25-4)13-22-14-16-17(23)11-21(2,3)12-18(16)24/h7-8,10,14,22H,5-6,9,11-13H2,1-4H3