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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 7-benzyloxy-1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 7-benzoxy-1-(2-bromo-4,5-dimethoxy-benzyl)-5,6-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C27H30BrNO5 MolecularWeight: 528.4348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OCC4=CC=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OCC4=CC=CC=C4)Br)OC

InChI

InChI=1S/C27H30BrNO5/c1-30-23-13-18(21(28)15-24(23)31-2)12-22-20-14-25(34-16-17-8-6-5-7-9-17)27(33-4)26(32-3)19(20)10-11-29-22/h5-9,13-15,22,29H,10-12,16H2,1-4H3