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

Systemtic Name: 2-[5-[4-chloranyl-3-(trifluoromethyl)phenyl]furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-6-ethyl-quinoline-4-carboxylic acid CAS Name: 2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furanyl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 2-[5-[4-chloro-3-(trifluoromethyl)phenyl]-2-furyl]-6-ethyl-cinchoninic acid Formula: C23H15ClF3NO3 MolecularWeight: 445.81831

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C23H15ClF3NO3/c1-2-12-3-6-18-14(9-12)15(22(29)30)11-19(28-18)21-8-7-20(31-21)13-4-5-17(24)16(10-13)23(25,26)27/h3-11H,2H2,1H3,(H,29,30)