2-[[(2R,5S)-2,5-dimethyl-4-quinoxalin-2-yl-piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[(2R,5S)-2,5-dimethyl-4-quinoxalin-2-yl-piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[(2R,5S)-2,5-dimethyl-4-quinoxalin-2-yl-piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[(2R,5S)-2,5-dimethyl-4-(2-quinoxalinyl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[(2R,5S)-2,5-dimethyl-4-quinoxalin-2-ylpiperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[(2R,5S)-2,5-dimethyl-4-quinoxalin-2-yl-piperazine-1-carbonyl]amino]benzoic acid Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)NC2=CC=CC=C2C(=O)O)C)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C[C@@H]1CN([C@H](CN1C(=O)NC2=CC=CC=C2C(=O)O)C)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H23N5O3/c1-14-13-27(22(30)25-17-8-4-3-7-16(17)21(28)29)15(2)12-26(14)20-11-23-18-9-5-6-10-19(18)24-20/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)(H,28,29)/t14-,15+/m0/s1