2-[2-[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[4-[(3-carboxy-2-quinoxalinyl)amino]phenyl]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[4-[(3-carboxyquinoxalin-2-yl)amino]phenyl]acetyl]amino]glutaric acid Formula: C22H20N4O7 MolecularWeight: 452.4168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20N4O7/c27-17(24-16(21(30)31)9-10-18(28)29)11-12-5-7-13(8-6-12)23-20-19(22(32)33)25-14-3-1-2-4-15(14)26-20/h1-8,16H,9-11H2,(H,23,26)(H,24,27)(H,28,29)(H,30,31)(H,32,33)