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

Systemtic Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-[[3-methoxycarbonyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-2-carboxylic acid Traditional Name: 1-[4-[[3-carbomethoxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]pipecolinic acid Formula: C24H21F3N4O5 MolecularWeight: 502.44255

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCCC4C(=O)O

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCCCC4C(=O)O

InChI

InChI=1S/C24H21F3N4O5/c1-36-23(35)19-20(30-16-10-7-14(24(25,26)27)12-17(16)29-19)28-15-8-5-13(6-9-15)21(32)31-11-3-2-4-18(31)22(33)34/h5-10,12,18H,2-4,11H2,1H3,(H,28,30)(H,33,34)