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

Systemtic Name: 6-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-ethyl-2-[5-(4-fluorophenyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-ethyl-2-[5-(4-fluorophenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-ethyl-2-[5-(4-fluorophenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-ethyl-2-[5-(4-fluorophenyl)-2-furyl]cinchoninate Formula: C22H15FNO3- MolecularWeight: 360.357803

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FNO3/c1-2-13-3-8-18-16(11-13)17(22(25)26)12-19(24-18)21-10-9-20(27-21)14-4-6-15(23)7-5-14/h3-12H,2H2,1H3,(H,25,26)/p-1