2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-vinyl-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-ethenyl-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-1-vinyl-3,4-dihydro-1H-isoquinolin-6-ol Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CCN(C(C2=C1)C=C)CC3=CC4=C(C=C3Br)OCO4)O

Isomeric SMILES

COC1=C(C=C2CCN(C(C2=C1)C=C)CC3=CC4=C(C=C3Br)OCO4)O

InChI

InChI=1S/C20H20BrNO4/c1-3-16-14-8-18(24-2)17(23)6-12(14)4-5-22(16)10-13-7-19-20(9-15(13)21)26-11-25-19/h3,6-9,16,23H,1,4-5,10-11H2,2H3