(E)-1-(4-methylpyridin-3-yl)-3-[[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]amino]but-2-en-1-one

Systemtic Name: (E)-1-(4-methylpyridin-3-yl)-3-[[2-oxidanyl-3-(2-prop-2-enoxyphenoxy)propyl]amino]but-2-en-1-one Openeye Name: (E)-3-[[3-(2-allyloxyphenoxy)-2-hydroxy-propyl]amino]-1-(4-methyl-3-pyridyl)but-2-en-1-one CAS Name: (E)-3-[[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]amino]-1-(4-methyl-3-pyridinyl)-2-buten-1-one IUPAC Name: (E)-3-[[2-hydroxy-3-(2-prop-2-enoxyphenoxy)propyl]amino]-1-(4-methylpyridin-3-yl)but-2-en-1-one Traditional Name: (E)-3-[[3-(2-allyloxyphenoxy)-2-hydroxy-propyl]amino]-1-(4-methyl-3-pyridyl)but-2-en-1-one Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC=C1)C(=O)C=C(C)NCC(COC2=CC=CC=C2OCC=C)O

Isomeric SMILES

CC1=C(C=NC=C1)C(=O)/C=C(\C)/NCC(COC2=CC=CC=C2OCC=C)O

InChI

InChI=1S/C22H26N2O4/c1-4-11-27-21-7-5-6-8-22(21)28-15-18(25)13-24-17(3)12-20(26)19-14-23-10-9-16(19)2/h4-10,12,14,18,24-25H,1,11,13,15H2,2-3H3/b17-12+