1-[(2-bromanyl-3,4-dimethoxy-phenyl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline

Systemtic Name: 1-[(2-bromanyl-3,4-dimethoxy-phenyl)methyl]-7-methoxy-8-phenylmethoxy-isoquinoline Openeye Name: 8-benzyloxy-1-[(2-bromo-3,4-dimethoxy-phenyl)methyl]-7-methoxy-isoquinoline CAS Name: 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline IUPAC Name: 1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-7-methoxy-8-phenylmethoxyisoquinoline Traditional Name: 8-benzoxy-1-(2-bromo-3,4-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=C(C(=C(C=C3)OC)OC)Br)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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