6-bromanyl-3-ethyl-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-3-ethyl-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-bromo-3-ethyl-2-[5-(2-fluorophenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-bromo-3-ethyl-2-[5-(2-fluorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-bromo-3-ethyl-2-[5-(2-fluorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-bromo-3-ethyl-2-[5-(2-fluorophenyl)-2-furyl]cinchoninate Formula: C22H14BrFNO3- MolecularWeight: 439.253863

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Br)C3=CC=C(O3)C4=CC=CC=C4F

Isomeric SMILES

CCC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])Br)C3=CC=C(O3)C4=CC=CC=C4F

InChI

InChI=1S/C22H15BrFNO3/c1-2-13-20(22(26)27)15-11-12(23)7-8-17(15)25-21(13)19-10-9-18(28-19)14-5-3-4-6-16(14)24/h3-11H,2H2,1H3,(H,26,27)/p-1