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

Systemtic Name: (2S)-2-[[4-(3-phenylquinoxalin-2-yl)oxyphenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[oxo-[4-[(3-phenyl-2-quinoxalinyl)oxy]phenyl]methyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]glutaric acid Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C26H21N3O6/c30-22(31)15-14-21(26(33)34)28-24(32)17-10-12-18(13-11-17)35-25-23(16-6-2-1-3-7-16)27-19-8-4-5-9-20(19)29-25/h1-13,21H,14-15H2,(H,28,32)(H,30,31)(H,33,34)/t21-/m0/s1