1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline Openeye Name: 8-benzyloxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-isoquinoline CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline Traditional Name: 8-benzoxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7-methoxy-isoquinoline Formula: C25H20BrNO4 MolecularWeight: 478.3346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN=C2CC3=CC4=C(C=C3Br)OCO4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN=C2CC3=CC4=C(C=C3Br)OCO4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H20BrNO4/c1-28-21-8-7-17-9-10-27-20(11-18-12-22-23(13-19(18)26)31-15-30-22)24(17)25(21)29-14-16-5-3-2-4-6-16/h2-10,12-13H,11,14-15H2,1H3