1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline

Systemtic Name: 1-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline Openeye Name: 8-benzyloxy-1-[(3-bromo-4,5-dimethoxy-phenyl)methyl]-7-methoxy-isoquinoline CAS Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline IUPAC Name: 1-[(3-bromo-4,5-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline Traditional Name: 8-benzoxy-1-(3-bromo-4,5-dimethoxy-benzyl)-7-methoxy-isoquinoline Formula: C26H24BrNO4 MolecularWeight: 494.37706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN=C2CC3=CC(=C(C(=C3)Br)OC)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN=C2CC3=CC(=C(C(=C3)Br)OC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C26H24BrNO4/c1-29-22-10-9-19-11-12-28-21(14-18-13-20(27)25(31-3)23(15-18)30-2)24(19)26(22)32-16-17-7-5-4-6-8-17/h4-13,15H,14,16H2,1-3H3