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

Systemtic Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[4-[[6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]isonipecotic acid Formula: C22H19F3N4O3 MolecularWeight: 444.40647

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F

InChI

InChI=1S/C22H19F3N4O3/c23-22(24,25)15-3-6-17-18(11-15)26-12-19(28-17)27-16-4-1-13(2-5-16)20(30)29-9-7-14(8-10-29)21(31)32/h1-6,11-12,14H,7-10H2,(H,27,28)(H,31,32)