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

Systemtic Name: 2-[5-[2-chloranyl-5-(trifluoromethyl)phenyl]furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-2-furyl]-6-methyl-cinchoninic acid Formula: C22H13ClF3NO3 MolecularWeight: 431.79173

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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=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H13ClF3NO3/c1-11-2-5-17-13(8-11)14(21(28)29)10-18(27-17)20-7-6-19(30-20)15-9-12(22(24,25)26)3-4-16(15)23/h2-10H,1H3,(H,28,29)