(2S)-2-[[4-(3-carboxyquinoxalin-2-yl)oxyphenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-(3-carboxyquinoxalin-2-yl)oxyphenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(3-carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(3-carboxy-2-quinoxalinyl)oxy]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(3-carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-(3-carboxyquinoxalin-2-yl)oxybenzoyl]amino]glutaric acid Formula: C21H17N3O8 MolecularWeight: 439.37498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H17N3O8/c25-16(26)10-9-15(20(28)29)23-18(27)11-5-7-12(8-6-11)32-19-17(21(30)31)22-13-3-1-2-4-14(13)24-19/h1-8,15H,9-10H2,(H,23,27)(H,25,26)(H,28,29)(H,30,31)/t15-/m0/s1