methyl 2-(4-bromanylisoquinolin-3-yl)benzoate

Systemtic Name: methyl 2-(4-bromanylisoquinolin-3-yl)benzoate Openeye Name: methyl 2-(4-bromo-3-isoquinolyl)benzoate CAS Name: 2-(4-bromo-3-isoquinolinyl)benzoic acid methyl ester IUPAC Name: methyl 2-(4-bromoisoquinolin-3-yl)benzoate Traditional Name: 2-(4-bromo-3-isoquinolyl)benzoic acid methyl ester Formula: C17H12BrNO2 MolecularWeight: 342.18668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=C(C3=CC=CC=C3C=N2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=C(C3=CC=CC=C3C=N2)Br

InChI

InChI=1S/C17H12BrNO2/c1-21-17(20)14-9-5-4-8-13(14)16-15(18)12-7-3-2-6-11(12)10-19-16/h2-10H,1H3