1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[3-methyl-7-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]isonipecotic acid Formula: C23H21F3N4O3 MolecularWeight: 458.43305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H21F3N4O3/c1-13-20(29-19-12-16(23(24,25)26)4-7-18(19)27-13)28-17-5-2-14(3-6-17)21(31)30-10-8-15(9-11-30)22(32)33/h2-7,12,15H,8-11H2,1H3,(H,28,29)(H,32,33)