butyl 2-[4-(6-bromanylquinoxalin-2-yl)oxy-2-fluoranyl-phenoxy]propanoate

Systemtic Name: butyl 2-[4-(6-bromanylquinoxalin-2-yl)oxy-2-fluoranyl-phenoxy]propanoate Openeye Name: butyl 2-[4-(6-bromoquinoxalin-2-yl)oxy-2-fluoro-phenoxy]propanoate CAS Name: 2-[4-[(6-bromo-2-quinoxalinyl)oxy]-2-fluorophenoxy]propanoic acid butyl ester IUPAC Name: butyl 2-[4-(6-bromoquinoxalin-2-yl)oxy-2-fluorophenoxy]propanoate Traditional Name: 2-[4-(6-bromoquinoxalin-2-yl)oxy-2-fluoro-phenoxy]propionic acid butyl ester Formula: C21H20BrFN2O4 MolecularWeight: 463.296903

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)OC1=C(C=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Br)F

Isomeric SMILES

CCCCOC(=O)C(C)OC1=C(C=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Br)F

InChI

InChI=1S/C21H20BrFN2O4/c1-3-4-9-27-21(26)13(2)28-19-8-6-15(11-16(19)23)29-20-12-24-18-10-14(22)5-7-17(18)25-20/h5-8,10-13H,3-4,9H2,1-2H3