(3-phenylisoquinolin-4-yl)methyl 4-bromanylbenzoate

Systemtic Name: (3-phenylisoquinolin-4-yl)methyl 4-bromanylbenzoate Openeye Name: (3-phenyl-4-isoquinolyl)methyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3-phenyl-4-isoquinolinyl)methyl ester IUPAC Name: (3-phenylisoquinolin-4-yl)methyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (3-phenyl-4-isoquinolyl)methyl ester Formula: C23H16BrNO2 MolecularWeight: 418.28264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H16BrNO2/c24-19-12-10-17(11-13-19)23(26)27-15-21-20-9-5-4-8-18(20)14-25-22(21)16-6-2-1-3-7-16/h1-14H,15H2