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

Systemtic Name: methyl 2-[2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-3-methoxy-1-oxidanylidene-isoquinolin-4-yl]ethanoate Openeye Name: methyl 2-[2-[(4-bromo-2-fluoro-phenyl)methyl]-3-methoxy-1-oxo-4-isoquinolyl]acetate CAS Name: 2-[2-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-1-oxo-4-isoquinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(4-bromo-2-fluorophenyl)methyl]-3-methoxy-1-oxoisoquinolin-4-yl]acetate Traditional Name: 2-[2-(4-bromo-2-fluoro-benzyl)-1-keto-3-methoxy-4-isoquinolyl]acetic acid methyl ester Formula: C20H17BrFNO4 MolecularWeight: 434.255683

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFNO4/c1-26-18(24)10-16-14-5-3-4-6-15(14)19(25)23(20(16)27-2)11-12-7-8-13(21)9-17(12)22/h3-9H,10-11H2,1-2H3