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

Systemtic Name: diethyl (2S)-2-[[4-[(3-chloranyl-2-phenyl-quinoxalin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[4-[(3-chloro-2-phenyl-quinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-[(3-chloro-2-phenyl-6-quinoxalinyl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-[(3-chloro-2-phenyl-quinoxalin-6-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C31H31ClN4O5 MolecularWeight: 575.05464

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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)Cl)C4=CC=CC=C4

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)Cl)C4=CC=CC=C4

InChI

InChI=1S/C31H31ClN4O5/c1-3-40-27(37)17-16-25(31(39)41-4-2)36-30(38)22-11-13-23(14-12-22)33-19-20-10-15-24-26(18-20)35-29(32)28(34-24)21-8-6-5-7-9-21/h5-15,18,25,33H,3-4,16-17,19H2,1-2H3,(H,36,38)/t25-/m0/s1