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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F)C(=O)O

InChI

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