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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=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

C1CCN(C(C1)C(=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)19-11-14-21-22(16-19)33-24(17-6-2-1-3-7-17)25(34-21)32-20-12-9-18(10-13-20)26(36)35-15-5-4-8-23(35)27(37)38/h1-3,6-7,9-14,16,23H,4-5,8,15H2,(H,32,34)(H,37,38)