[isoquinolin-1-yl-(3-methoxyphenyl)methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-(3-methoxyphenyl)methyl] benzoate Openeye Name: [1-isoquinolyl-(3-methoxyphenyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl-(3-methoxyphenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl-(3-methoxyphenyl)methyl] benzoate Traditional Name: benzoic acid [1-isoquinolyl-(3-methoxyphenyl)methyl] ester Formula: C24H19NO3 MolecularWeight: 369.41256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19NO3/c1-27-20-12-7-11-19(16-20)23(28-24(26)18-9-3-2-4-10-18)22-21-13-6-5-8-17(21)14-15-25-22/h2-16,23H,1H3