methyl 6-[(E)-3-bromanylprop-1-enyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate

Systemtic Name: methyl 6-[(E)-3-bromanylprop-1-enyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate Openeye Name: methyl 4-benzyloxy-6-[(E)-3-bromoprop-1-enyl]-1,3-benzodioxole-5-carboxylate CAS Name: 6-[(E)-3-bromoprop-1-enyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[(E)-3-bromoprop-1-enyl]-4-phenylmethoxy-1,3-benzodioxole-5-carboxylate Traditional Name: 4-benzoxy-6-[(E)-3-bromoprop-1-enyl]-piperonylic acid methyl ester Formula: C19H17BrO5 MolecularWeight: 405.23928

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(C=C1C=CCBr)OCO2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C2=C(C=C1/C=C/CBr)OCO2)OCC3=CC=CC=C3

InChI

InChI=1S/C19H17BrO5/c1-22-19(21)16-14(8-5-9-20)10-15-17(25-12-24-15)18(16)23-11-13-6-3-2-4-7-13/h2-8,10H,9,11-12H2,1H3/b8-5+