ethyl 4-[5-methoxy-2-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]pyridin-4-yl]oxybutanoate dihydrochloride

Systemtic Name: ethyl 4-[5-methoxy-2-[(E)-3-oxidanylidene-3-pyridin-3-yl-prop-1-enyl]pyridin-4-yl]oxybutanoate dihydrochloride Openeye Name: ethyl 4-[[5-methoxy-2-[(E)-3-oxo-3-(3-pyridyl)prop-1-enyl]-4-pyridyl]oxy]butanoate dihydrochloride CAS Name: 4-[[5-methoxy-2-[(E)-3-oxo-3-(3-pyridinyl)prop-1-enyl]-4-pyridinyl]oxy]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[5-methoxy-2-[(E)-3-oxo-3-pyridin-3-ylprop-1-enyl]pyridin-4-yl]oxybutanoate dihydrochloride Traditional Name: 4-[[2-[(E)-3-keto-3-(3-pyridyl)prop-1-enyl]-5-methoxy-4-pyridyl]oxy]butyric acid ethyl ester dihydrochloride Formula: C20H24Cl2N2O5 MolecularWeight: 443.32096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=CC(=NC=C1OC)C=CC(=O)C2=CN=CC=C2.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCOC1=CC(=NC=C1OC)/C=C/C(=O)C2=CN=CC=C2.Cl.Cl

InChI

InChI=1S/C20H22N2O5.2ClH/c1-3-26-20(24)7-5-11-27-18-12-16(22-14-19(18)25-2)8-9-17(23)15-6-4-10-21-13-15;;/h4,6,8-10,12-14H,3,5,7,11H2,1-2H3;2*1H/b9-8+;;