diethyl (2S)-2-[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioate

Systemtic Name: diethyl (2S)-2-[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]ethanoylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate CAS Name: (2S)-2-[[1-oxo-2-[4-[(3-phenyl-2-quinoxalinyl)amino]phenyl]ethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate Traditional Name: (2S)-2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]glutaric acid diethyl ester Formula: C31H32N4O5 MolecularWeight: 540.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4

InChI

InChI=1S/C31H32N4O5/c1-3-39-28(37)19-18-26(31(38)40-4-2)33-27(36)20-21-14-16-23(17-15-21)32-30-29(22-10-6-5-7-11-22)34-24-12-8-9-13-25(24)35-30/h5-17,26H,3-4,18-20H2,1-2H3,(H,32,35)(H,33,36)/t26-/m0/s1