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

Systemtic Name: 1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(4-benzoxy-2-bromo-5-methoxy-phenyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline Formula: C31H30BrNO4 MolecularWeight: 560.4782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C31H30BrNO4/c1-34-27-15-23-13-14-33-31(24(23)16-29(27)36-19-21-9-5-3-6-10-21)25-17-28(35-2)30(18-26(25)32)37-20-22-11-7-4-8-12-22/h3-12,15-18,31,33H,13-14,19-20H2,1-2H3