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

Systemtic Name: [isoquinolin-1-yl(pyridin-4-yl)methyl] benzoate Openeye Name: [1-isoquinolyl(4-pyridyl)methyl] benzoate CAS Name: benzoic acid [1-isoquinolinyl(pyridin-4-yl)methyl] ester IUPAC Name: [isoquinolin-1-yl(pyridin-4-yl)methyl] benzoate Traditional Name: benzoic acid [1-isoquinolyl(4-pyridyl)methyl] ester Formula: C22H16N2O2 MolecularWeight: 340.37464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O2/c25-22(18-7-2-1-3-8-18)26-21(17-10-13-23-14-11-17)20-19-9-5-4-6-16(19)12-15-24-20/h1-15,21H