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

Systemtic Name: [(4-bromophenyl)-isoquinolin-1-yl-methyl] benzoate Openeye Name: [(4-bromophenyl)-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [(4-bromophenyl)-(1-isoquinolinyl)methyl] ester IUPAC Name: [(4-bromophenyl)-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [(4-bromophenyl)-(1-isoquinolyl)methyl] ester Formula: C23H16BrNO2 MolecularWeight: 418.28264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16BrNO2/c24-19-12-10-17(11-13-19)22(27-23(26)18-7-2-1-3-8-18)21-20-9-5-4-6-16(20)14-15-25-21/h1-15,22H