2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-methoxy-1-oxidanylidene-isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-methoxy-1-oxidanylidene-isoquinolin-4-yl]ethanoic acid Openeye Name: 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-3-methoxy-1-oxo-4-isoquinolyl]acetic acid CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-1-oxo-4-isoquinolinyl]acetic acid IUPAC Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-1-oxoisoquinolin-4-yl]acetic acid Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-1-keto-3-methoxy-4-isoquinolyl]acetic acid Formula: C19H15BrFNO4 MolecularWeight: 420.229103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)Br)F)CC(=O)O

Isomeric SMILES

COC1=C(C2=CC=CC=C2C(=O)N1CC3=C(C=C(C=C3)Br)F)CC(=O)O

InChI

InChI=1S/C19H15BrFNO4/c1-26-19-15(9-17(23)24)13-4-2-3-5-14(13)18(25)22(19)10-11-6-7-12(20)8-16(11)21/h2-8H,9-10H2,1H3,(H,23,24)