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

Systemtic Name: 1-[4-[[3-methyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-[[3-methyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-[[3-methyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-methyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[[3-methyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pipecolinic acid Formula: C23H21F3N4O3 MolecularWeight: 458.43305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCCC4C(=O)O

InChI

InChI=1S/C23H21F3N4O3/c1-13-20(29-17-10-7-15(23(24,25)26)12-18(17)27-13)28-16-8-5-14(6-9-16)21(31)30-11-3-2-4-19(30)22(32)33/h5-10,12,19H,2-4,11H2,1H3,(H,28,29)(H,32,33)