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

Systemtic Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-[[3-methoxycarbonyl-6-(trifluoromethyl)-2-quinoxalinyl]amino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-[[3-methoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-[[3-carbomethoxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H21F3N4O5/c1-36-23(35)19-20(30-17-7-4-15(24(25,26)27)12-18(17)29-19)28-16-5-2-13(3-6-16)21(32)31-10-8-14(9-11-31)22(33)34/h2-7,12,14H,8-11H2,1H3,(H,28,30)(H,33,34)