2-[[4-(quinoxalin-2-ylmethylamino)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(quinoxalin-2-ylmethylamino)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(quinoxalin-2-ylmethylamino)benzoyl]amino]pentanedioic acid CAS Name: 2-[[oxo-[4-(2-quinoxalinylmethylamino)phenyl]methyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(quinoxalin-2-ylmethylamino)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(quinoxalin-2-ylmethylamino)benzoyl]amino]glutaric acid Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H20N4O5/c26-19(27)10-9-18(21(29)30)25-20(28)13-5-7-14(8-6-13)22-11-15-12-23-16-3-1-2-4-17(16)24-15/h1-8,12,18,22H,9-11H2,(H,25,28)(H,26,27)(H,29,30)