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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-])C(F)(F)F

InChI

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