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

Systemtic Name: 6-methyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Openeye Name: 6-methyl-2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylate CAS Name: 6-methyl-2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 6-methyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylate Traditional Name: 6-methyl-2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]cinchoninate Formula: C22H13F3NO3- MolecularWeight: 396.33873

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H14F3NO3/c1-12-5-6-17-15(9-12)16(21(27)28)11-18(26-17)20-8-7-19(29-20)13-3-2-4-14(10-13)22(23,24)25/h2-11H,1H3,(H,27,28)/p-1