ethyl 4-[5-ethoxy-2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-4-yl]oxybutanoate hydrochloride

Systemtic Name: ethyl 4-[5-ethoxy-2-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]pyridin-4-yl]oxybutanoate hydrochloride Openeye Name: ethyl 4-[[5-ethoxy-2-[(E)-3-oxo-3-phenyl-prop-1-enyl]-4-pyridyl]oxy]butanoate hydrochloride CAS Name: 4-[[5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]-4-pyridinyl]oxy]butanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[5-ethoxy-2-[(E)-3-oxo-3-phenylprop-1-enyl]pyridin-4-yl]oxybutanoate hydrochloride Traditional Name: 4-[[5-ethoxy-2-[(E)-3-keto-3-phenyl-prop-1-enyl]-4-pyridyl]oxy]butyric acid ethyl ester hydrochloride Formula: C22H26ClNO5 MolecularWeight: 419.89854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=C(C=C1OCCCC(=O)OCC)C=CC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CCOC1=CN=C(C=C1OCCCC(=O)OCC)/C=C/C(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C22H25NO5.ClH/c1-3-26-21-16-23-18(12-13-19(24)17-9-6-5-7-10-17)15-20(21)28-14-8-11-22(25)27-4-2;/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3;1H/b13-12+;