(4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (4-bromo-2-fluoro-benzyl) ester Formula: C20H17BrFNO3 MolecularWeight: 418.256283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H17BrFNO3/c1-13(24)23-9-8-14-4-2-3-5-17(14)19(23)11-20(25)26-12-15-6-7-16(21)10-18(15)22/h2-10,19H,11-12H2,1H3