(E)-5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(4-hydroxyphenyl)pent-1-en-3-one

Systemtic Name: (E)-5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(4-hydroxyphenyl)pent-1-en-3-one Openeye Name: (E)-5-[2-(1,3-benzodioxol-5-yl)ethyl-methyl-amino]-1-(4-hydroxyphenyl)pent-1-en-3-one CAS Name: (E)-5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-1-(4-hydroxyphenyl)-1-penten-3-one IUPAC Name: (E)-5-[2-(1,3-benzodioxol-5-yl)ethyl-methylamino]-1-(4-hydroxyphenyl)pent-1-en-3-one Traditional Name: (E)-5-[homopiperonyl(methyl)amino]-1-(4-hydroxyphenyl)pent-1-en-3-one Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC2=C(C=C1)OCO2)CCC(=O)C=CC3=CC=C(C=C3)O

Isomeric SMILES

CN(CCC1=CC2=C(C=C1)OCO2)CCC(=O)/C=C/C3=CC=C(C=C3)O

InChI

InChI=1S/C21H23NO4/c1-22(12-10-17-5-9-20-21(14-17)26-15-25-20)13-11-19(24)8-4-16-2-6-18(23)7-3-16/h2-9,14,23H,10-13,15H2,1H3/b8-4+