2-[(1-quinoxalin-2-ylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(1-quinoxalin-2-ylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 2-[(1-quinoxalin-2-ylpiperidine-4-carbonyl)amino]benzoic acid CAS Name: 2-[[oxo-[1-(2-quinoxalinyl)-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 2-[(1-quinoxalin-2-ylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-quinoxalin-2-ylisonipecotoyl)amino]benzoic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H20N4O3/c26-20(24-16-6-2-1-5-15(16)21(27)28)14-9-11-25(12-10-14)19-13-22-17-7-3-4-8-18(17)23-19/h1-8,13-14H,9-12H2,(H,24,26)(H,27,28)