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

Systemtic Name: [(3-chlorophenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(3-chlorophenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(3-chlorophenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(3-chlorophenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(3-chlorophenyl)-(1-isoquinolyl)methyl] ester Formula: C23H16ClNO2 MolecularWeight: 373.83164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClNO2/c24-19-11-6-10-18(15-19)22(27-23(26)17-8-2-1-3-9-17)21-20-12-5-4-7-16(20)13-14-25-21/h1-15,22H