2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]cinchoninate Formula: C21H11F3NO3- MolecularWeight: 382.31215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C21H12F3NO3/c22-21(23,24)13-5-3-4-12(10-13)18-8-9-19(28-18)17-11-15(20(26)27)14-6-1-2-7-16(14)25-17/h1-11H,(H,26,27)/p-1