(E)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one Openeye Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]prop-2-en-1-one Traditional Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3-isobutoxy-4-methoxy-phenyl)prop-2-en-1-one Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C21H22O5/c1-14(2)12-24-20-10-15(5-8-18(20)23-3)4-7-17(22)16-6-9-19-21(11-16)26-13-25-19/h4-11,14H,12-13H2,1-3H3/b7-4+