[(3,4-dichlorophenyl)-isoquinolin-1-yl-methyl] benzoate

Systemtic Name: [(3,4-dichlorophenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(3,4-dichlorophenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3,4-dichlorophenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3,4-dichlorophenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(3,4-dichlorophenyl)-(1-isoquinolyl)methyl] ester Formula: C23H15Cl2NO2 MolecularWeight: 408.2767

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H15Cl2NO2/c24-19-11-10-17(14-20(19)25)22(28-23(27)16-7-2-1-3-8-16)21-18-9-5-4-6-15(18)12-13-26-21/h1-14,22H