ethyl 6-[5-methoxy-2-[(E)-3-oxidanylidene-3-pyridin-2-yl-prop-1-enyl]pyridin-4-yl]oxyhexanoate

Systemtic Name: ethyl 6-[5-methoxy-2-[(E)-3-oxidanylidene-3-pyridin-2-yl-prop-1-enyl]pyridin-4-yl]oxyhexanoate Openeye Name: ethyl 6-[[5-methoxy-2-[(E)-3-oxo-3-(2-pyridyl)prop-1-enyl]-4-pyridyl]oxy]hexanoate CAS Name: 6-[[5-methoxy-2-[(E)-3-oxo-3-(2-pyridinyl)prop-1-enyl]-4-pyridinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-methoxy-2-[(E)-3-oxo-3-pyridin-2-ylprop-1-enyl]pyridin-4-yl]oxyhexanoate Traditional Name: 6-[[2-[(E)-3-keto-3-(2-pyridyl)prop-1-enyl]-5-methoxy-4-pyridyl]oxy]hexanoic acid ethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCOC1=CC(=NC=C1OC)C=CC(=O)C2=CC=CC=N2

Isomeric SMILES

CCOC(=O)CCCCCOC1=CC(=NC=C1OC)/C=C/C(=O)C2=CC=CC=N2

InChI

InChI=1S/C22H26N2O5/c1-3-28-22(26)10-5-4-8-14-29-20-15-17(24-16-21(20)27-2)11-12-19(25)18-9-6-7-13-23-18/h6-7,9,11-13,15-16H,3-5,8,10,14H2,1-2H3/b12-11+