[(2-bromanyl-4,5-dimethoxy-phenyl)-(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)methyl] benzoate

Systemtic Name: [(2-bromanyl-4,5-dimethoxy-phenyl)-(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)methyl] benzoate Openeye Name: [(8-benzyloxy-7-methoxy-1-isoquinolyl)-(2-bromo-4,5-dimethoxy-phenyl)methyl] benzoate CAS Name: benzoic acid [(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxy-1-isoquinolinyl)methyl] ester IUPAC Name: [(2-bromo-4,5-dimethoxyphenyl)-(7-methoxy-8-phenylmethoxyisoquinolin-1-yl)methyl] benzoate Traditional Name: benzoic acid [(8-benzoxy-7-methoxy-1-isoquinolyl)-(2-bromo-4,5-dimethoxy-phenyl)methyl] ester Formula: C33H28BrNO6 MolecularWeight: 614.48252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN=C2C(C3=CC(=C(C=C3Br)OC)OC)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN=C2C(C3=CC(=C(C=C3Br)OC)OC)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28BrNO6/c1-37-26-15-14-22-16-17-35-30(29(22)32(26)40-20-21-10-6-4-7-11-21)31(41-33(36)23-12-8-5-9-13-23)24-18-27(38-2)28(39-3)19-25(24)34/h4-19,31H,20H2,1-3H3