[(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl] benzoate

Systemtic Name: [(7-methoxy-8-phenylmethoxy-isoquinolin-1-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl] benzoate Openeye Name: [(8-benzyloxy-7-methoxy-1-isoquinolyl)-(4-benzyloxy-3-methoxy-phenyl)methyl] benzoate CAS Name: benzoic acid [(7-methoxy-8-phenylmethoxy-1-isoquinolinyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl] ester IUPAC Name: [(7-methoxy-8-phenylmethoxyisoquinolin-1-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl] benzoate Traditional Name: benzoic acid [(8-benzoxy-7-methoxy-1-isoquinolyl)-(4-benzoxy-3-methoxy-phenyl)methyl] ester Formula: C39H33NO6 MolecularWeight: 611.68242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=CN=C2C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C2=C(C=C1)C=CN=C2C(C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C39H33NO6/c1-42-33-21-18-29-22-23-40-36(35(29)38(33)45-26-28-14-8-4-9-15-28)37(46-39(41)30-16-10-5-11-17-30)31-19-20-32(34(24-31)43-2)44-25-27-12-6-3-7-13-27/h3-24,37H,25-26H2,1-2H3