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

Systemtic Name: (3E,5E)-3,5-bis[(3-methoxy-4-oxidanyl-phenyl)methylidene]piperidin-4-one hydrochloride Openeye Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxy-phenyl)methylene]piperidin-4-one hydrochloride CAS Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]-4-piperidinone hydrochloride IUPAC Name: (3E,5E)-3,5-bis[(4-hydroxy-3-methoxyphenyl)methylidene]piperidin-4-one hydrochloride Traditional Name: (3E,5E)-3,5-divanillylidene-4-piperidone hydrochloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2CNCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=C(C=C3)O)OC)/CNC2)O.Cl

InChI

InChI=1S/C21H21NO5.ClH/c1-26-19-9-13(3-5-17(19)23)7-15-11-22-12-16(21(15)25)8-14-4-6-18(24)20(10-14)27-2;/h3-10,22-24H,11-12H2,1-2H3;1H/b15-7+,16-8+;