1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C26H26BrNO5 MolecularWeight: 512.39234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CCNC(C2=CC(=C1OC)OCC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

COC1=C2CCNC(C2=CC(=C1OC)OCC3=CC=CC=C3)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C26H26BrNO5/c1-29-25-18-8-9-28-21(10-17-11-22-23(13-20(17)27)33-15-32-22)19(18)12-24(26(25)30-2)31-14-16-6-4-3-5-7-16/h3-7,11-13,21,28H,8-10,14-15H2,1-2H3