3-[[4-(2-carboxypiperidin-1-yl)carbonylphenyl]amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid

Systemtic Name: 3-[[4-(2-carboxypiperidin-1-yl)carbonylphenyl]amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Openeye Name: 3-[4-(2-carboxypiperidine-1-carbonyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid CAS Name: 3-[4-[(2-carboxy-1-piperidinyl)-oxomethyl]anilino]-6-(trifluoromethyl)-2-quinoxalinecarboxylic acid IUPAC Name: 3-[4-(2-carboxypiperidine-1-carbonyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Traditional Name: 3-[4-(2-carboxypiperidine-1-carbonyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid Formula: C23H19F3N4O5 MolecularWeight: 488.41597

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C(F)(F)F)N=C3C(=O)O

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(=O)C2=CC=C(C=C2)NC3=NC4=C(C=CC(=C4)C(F)(F)F)N=C3C(=O)O

InChI

InChI=1S/C23H19F3N4O5/c24-23(25,26)13-6-9-15-16(11-13)29-19(18(28-15)22(34)35)27-14-7-4-12(5-8-14)20(31)30-10-2-1-3-17(30)21(32)33/h4-9,11,17H,1-3,10H2,(H,27,29)(H,32,33)(H,34,35)