(3E,5E)-3,5-bis[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-ethyl-piperidin-4-one hydrochloride

Systemtic Name: (3E,5E)-3,5-bis[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-1-ethyl-piperidin-4-one hydrochloride Openeye Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxy-phenyl)methylene]-1-ethyl-piperidin-4-one hydrochloride CAS Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethyl-4-piperidinone hydrochloride IUPAC Name: (3E,5E)-3,5-bis[(3-ethoxy-4-hydroxyphenyl)methylidene]-1-ethylpiperidin-4-one hydrochloride Traditional Name: (3E,5E)-3,5-bis(3-ethoxy-4-hydroxy-benzylidene)-1-ethyl-4-piperidone hydrochloride Formula: C25H30ClNO5 MolecularWeight: 459.9624

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(=CC2=CC(=C(C=C2)O)OCC)C(=O)C(=CC3=CC(=C(C=C3)O)OCC)C1.Cl

Isomeric SMILES

CCN1C/C(=C\C2=CC(=C(C=C2)O)OCC)/C(=O)/C(=C/C3=CC(=C(C=C3)O)OCC)/C1.Cl

InChI

InChI=1S/C25H29NO5.ClH/c1-4-26-15-19(11-17-7-9-21(27)23(13-17)30-5-2)25(29)20(16-26)12-18-8-10-22(28)24(14-18)31-6-3;/h7-14,27-28H,4-6,15-16H2,1-3H3;1H/b19-11+,20-12+;