6-fluoranyl-2-[5-(4-methylphenyl)furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 6-fluoranyl-2-[5-(4-methylphenyl)furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-fluoro-2-[5-(p-tolyl)-2-furyl]quinoline-4-carboxylate CAS Name: 6-fluoro-2-[5-(4-methylphenyl)-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-fluoro-2-[5-(4-methylphenyl)furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-fluoro-2-[5-(p-tolyl)-2-furyl]cinchoninate Formula: C21H13FNO3- MolecularWeight: 346.331223

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H14FNO3/c1-12-2-4-13(5-3-12)19-8-9-20(26-19)18-11-16(21(24)25)15-10-14(22)6-7-17(15)23-18/h2-11H,1H3,(H,24,25)/p-1