(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H23BrO7 MolecularWeight: 467.30712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)OCC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C21H23BrO7/c1-24-18-8-13(9-19(25-2)21(18)26-3)4-5-20(23)29-12-14-10-16-17(11-15(14)22)28-7-6-27-16/h8-11H,4-7,12H2,1-3H3