2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-fluoranyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-fluoranyl-quinoline-4-carboxylate Openeye Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-fluoro-quinoline-4-carboxylate CAS Name: 2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-6-fluoro-4-quinolinecarboxylate IUPAC Name: 2-[5-(2-bromo-4-methylphenyl)furan-2-yl]-6-fluoroquinoline-4-carboxylate Traditional Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-fluoro-cinchoninate Formula: C21H12BrFNO3- MolecularWeight: 425.227283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)F)C(=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)F)C(=C3)C(=O)[O-])Br

InChI

InChI=1S/C21H13BrFNO3/c1-11-2-4-13(16(22)8-11)19-6-7-20(27-19)18-10-15(21(25)26)14-9-12(23)3-5-17(14)24-18/h2-10H,1H3,(H,25,26)/p-1