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

Systemtic Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-[3,5-bis(trifluoromethyl)phenyl]-2-furyl]-6-methyl-cinchoninic acid Formula: C23H13F6NO3 MolecularWeight: 465.344639

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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)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)C(F)(F)F

InChI

InChI=1S/C23H13F6NO3/c1-11-2-3-17-15(6-11)16(21(31)32)10-18(30-17)20-5-4-19(33-20)12-7-13(22(24,25)26)9-14(8-12)23(27,28)29/h2-10H,1H3,(H,31,32)