[isoquinolin-1-yl-(4-phenylmethoxyphenyl)methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-(4-phenylmethoxyphenyl)methyl] benzoate Openeye Name: [(4-benzyloxyphenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(4-phenylmethoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(4-phenylmethoxyphenyl)methyl] benzoate Traditional Name: benzoic acid [(4-benzoxyphenyl)-(1-isoquinolyl)methyl] ester Formula: C30H23NO3 MolecularWeight: 445.50852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H23NO3/c32-30(25-12-5-2-6-13-25)34-29(28-27-14-8-7-11-23(27)19-20-31-28)24-15-17-26(18-16-24)33-21-22-9-3-1-4-10-22/h1-20,29H,21H2