(E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-5-methoxy-4-propoxy-phenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one Formula: C21H21BrO5 MolecularWeight: 433.29244

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C=CC(=O)C2=CC3=C(C=C2)OCCO3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)/C=C/C(=O)C2=CC3=C(C=C2)OCCO3)OC

InChI

InChI=1S/C21H21BrO5/c1-3-8-27-21-16(22)11-14(12-20(21)24-2)4-6-17(23)15-5-7-18-19(13-15)26-10-9-25-18/h4-7,11-13H,3,8-10H2,1-2H3/b6-4+