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

Systemtic Name: 1-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-(4-benzoxy-2-bromo-5-methoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C23H22BrNO4 MolecularWeight: 456.32908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2C3=CC(=C(C=C3CCN2)O)O)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C(=C1)C2C3=CC(=C(C=C3CCN2)O)O)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C23H22BrNO4/c1-28-21-11-17(18(24)12-22(21)29-13-14-5-3-2-4-6-14)23-16-10-20(27)19(26)9-15(16)7-8-25-23/h2-6,9-12,23,25-27H,7-8,13H2,1H3