2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-(trifluoromethyloxy)quinoline-4-carboxylic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-oxidanyl-8-(trifluoromethyloxy)quinoline-4-carboxylic acid Openeye Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid CAS Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(trifluoromethoxy)-4-quinolinecarboxylic acid IUPAC Name: 2-[(4-chlorophenyl)methyl]-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorobenzyl)-3-hydroxy-8-(trifluoromethoxy)cinchoninic acid Formula: C18H11ClF3NO4 MolecularWeight: 397.73245

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(N=C2C(=C1)OC(F)(F)F)CC3=CC=C(C=C3)Cl)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(N=C2C(=C1)OC(F)(F)F)CC3=CC=C(C=C3)Cl)O)C(=O)O

InChI

InChI=1S/C18H11ClF3NO4/c19-10-6-4-9(5-7-10)8-12-16(24)14(17(25)26)11-2-1-3-13(15(11)23-12)27-18(20,21)22/h1-7,24H,8H2,(H,25,26)