1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[4-[[3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]isonipecotic acid Formula: C28H23F3N4O3 MolecularWeight: 520.50243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5

InChI

InChI=1S/C28H23F3N4O3/c29-28(30,31)20-8-11-22-23(16-20)33-24(17-4-2-1-3-5-17)25(34-22)32-21-9-6-18(7-10-21)26(36)35-14-12-19(13-15-35)27(37)38/h1-11,16,19H,12-15H2,(H,32,34)(H,37,38)