diethyl (2S)-2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxyphenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxyphenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(3-ethoxycarbonyl-2-quinoxalinyl)oxy]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(3-carbethoxyquinoxalin-2-yl)oxybenzoyl]amino]glutaric acid diethyl ester Formula: C27H29N3O8 MolecularWeight: 523.53446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(=O)OCC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(=O)OCC

InChI

InChI=1S/C27H29N3O8/c1-4-35-22(31)16-15-21(26(33)36-5-2)29-24(32)17-11-13-18(14-12-17)38-25-23(27(34)37-6-3)28-19-9-7-8-10-20(19)30-25/h7-14,21H,4-6,15-16H2,1-3H3,(H,29,32)/t21-/m0/s1