(E)-3-[[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]-methyl-amino]-1-pyridin-3-yl-prop-2-en-1-one

Systemtic Name: (E)-3-[[3-(4-butoxyphenoxy)-2-oxidanyl-propyl]-methyl-amino]-1-pyridin-3-yl-prop-2-en-1-one Openeye Name: (E)-3-[[3-(4-butoxyphenoxy)-2-hydroxy-propyl]-methyl-amino]-1-(3-pyridyl)prop-2-en-1-one CAS Name: (E)-3-[[3-(4-butoxyphenoxy)-2-hydroxypropyl]-methylamino]-1-(3-pyridinyl)-2-propen-1-one IUPAC Name: (E)-3-[[3-(4-butoxyphenoxy)-2-hydroxypropyl]-methylamino]-1-pyridin-3-ylprop-2-en-1-one Traditional Name: (E)-3-[[3-(4-butoxyphenoxy)-2-hydroxy-propyl]-methyl-amino]-1-(3-pyridyl)prop-2-en-1-one Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCC(CN(C)C=CC(=O)C2=CN=CC=C2)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCC(CN(C)/C=C/C(=O)C2=CN=CC=C2)O

InChI

InChI=1S/C22H28N2O4/c1-3-4-14-27-20-7-9-21(10-8-20)28-17-19(25)16-24(2)13-11-22(26)18-6-5-12-23-15-18/h5-13,15,19,25H,3-4,14,16-17H2,1-2H3/b13-11+