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

Systemtic Name: [isoquinolin-1-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl] benzoate Openeye Name: [(4-benzyloxy-3-methoxy-phenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(3-methoxy-4-phenylmethoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl] benzoate Traditional Name: benzoic acid [(4-benzoxy-3-methoxy-phenyl)-(1-isoquinolyl)methyl] ester Formula: C31H25NO4 MolecularWeight: 475.5345

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

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