diethyl (2S)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(2,3-dimethoxy-6-quinoxalinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C27H32N4O7 MolecularWeight: 524.56558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC

InChI

InChI=1S/C27H32N4O7/c1-5-37-23(32)14-13-21(27(34)38-6-2)29-24(33)18-8-10-19(11-9-18)28-16-17-7-12-20-22(15-17)31-26(36-4)25(30-20)35-3/h7-12,15,21,28H,5-6,13-14,16H2,1-4H3,(H,29,33)/t21-/m0/s1