N,N-diethylethanamine; 7,8-dimethyl-3-oxidanyl-2-[3-(trifluoromethyloxy)phenyl]quinoline-4-carboxylic acid

Systemtic Name: N,N-diethylethanamine; 7,8-dimethyl-3-oxidanyl-2-[3-(trifluoromethyloxy)phenyl]quinoline-4-carboxylic acid Openeye Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid CAS Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]-4-quinolinecarboxylic acid IUPAC Name: N,N-diethylethanamine; 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]cinchoninic acid; triethylamine Formula: C25H29F3N2O4 MolecularWeight: 478.50397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC(=CC=C3)OC(F)(F)F)C

Isomeric SMILES

CCN(CC)CC.CC1=C(C2=NC(=C(C(=C2C=C1)C(=O)O)O)C3=CC(=CC=C3)OC(F)(F)F)C

InChI

InChI=1S/C19H14F3NO4.C6H15N/c1-9-6-7-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-3-5-12(8-11)27-19(20,21)22;1-4-7(5-2)6-3/h3-8,24H,1-2H3,(H,25,26);4-6H2,1-3H3