[isoquinolin-1-yl-(3-methoxy-2-phenylmethoxy-phenyl)methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-(3-methoxy-2-phenylmethoxy-phenyl)methyl] benzoate Openeye Name: [(2-benzyloxy-3-methoxy-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(3-methoxy-2-phenylmethoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(3-methoxy-2-phenylmethoxyphenyl)methyl] benzoate Traditional Name: benzoic acid [(2-benzoxy-3-methoxy-phenyl)-(1-isoquinolyl)methyl] ester Formula: C31H25NO4 MolecularWeight: 475.5345

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H25NO4/c1-34-27-18-10-17-26(29(27)35-21-22-11-4-2-5-12-22)30(36-31(33)24-14-6-3-7-15-24)28-25-16-9-8-13-23(25)19-20-32-28/h2-20,30H,21H2,1H3