1-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-(2-bromanyl-4,5-dimethoxy-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(2-bromo-4,5-dimethoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(2-bromo-4,5-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(2-bromo-4,5-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(2-bromo-4,5-dimethoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C25H26BrNO4 MolecularWeight: 484.38224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3Br)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3Br)OC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26BrNO4/c1-28-21-11-17-9-10-27-25(19-13-22(29-2)23(30-3)14-20(19)26)18(17)12-24(21)31-15-16-7-5-4-6-8-16/h4-8,11-14,25,27H,9-10,15H2,1-3H3