(E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-oxidanyl-propyl]amino]-1-pyridin-3-yl-but-2-en-1-one

Systemtic Name: (E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-oxidanyl-propyl]amino]-1-pyridin-3-yl-but-2-en-1-one Openeye Name: (E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-hydroxy-propyl]amino]-1-(3-pyridyl)but-2-en-1-one CAS Name: (E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-1-(3-pyridinyl)-2-buten-1-one IUPAC Name: (E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]-1-pyridin-3-ylbut-2-en-1-one Traditional Name: (E)-3-[[3-[4-(1-ethoxyethoxy)phenoxy]-2-hydroxy-propyl]amino]-1-(3-pyridyl)but-2-en-1-one Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC1=CC=C(C=C1)OCC(CNC(=CC(=O)C2=CN=CC=C2)C)O

Isomeric SMILES

CCOC(C)OC1=CC=C(C=C1)OCC(CN/C(=C/C(=O)C2=CN=CC=C2)/C)O

InChI

InChI=1S/C22H28N2O5/c1-4-27-17(3)29-21-9-7-20(8-10-21)28-15-19(25)14-24-16(2)12-22(26)18-6-5-11-23-13-18/h5-13,17,19,24-25H,4,14-15H2,1-3H3/b16-12+