6-chloranyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid

Systemtic Name: 6-chloranyl-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Openeye Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]quinoline-4-carboxylic acid CAS Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-4-quinolinecarboxylic acid IUPAC Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]quinoline-4-carboxylic acid Traditional Name: 6-chloro-2-[5-[3-(trifluoromethyl)phenyl]-2-furyl]cinchoninic acid Formula: C21H11ClF3NO3 MolecularWeight: 417.76515

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O

InChI

InChI=1S/C21H11ClF3NO3/c22-13-4-5-16-14(9-13)15(20(27)28)10-17(26-16)19-7-6-18(29-19)11-2-1-3-12(8-11)21(23,24)25/h1-10H,(H,27,28)