ethanedioic acid; (2S)-1-[2-[2-(2-oxidanylidene-3-phenyl-imidazolidin-1-yl)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile

Systemtic Name: ethanedioic acid; (2S)-1-[2-[2-(2-oxidanylidene-3-phenyl-imidazolidin-1-yl)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: oxalic acid; (2S)-1-[2-[2-(2-oxo-3-phenyl-imidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: oxalic acid; (2S)-1-[1-oxo-2-[2-(2-oxo-3-phenyl-1-imidazolidinyl)ethylamino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: oxalic acid; (2S)-1-[2-[2-(2-oxo-3-phenylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[2-(2-keto-3-phenyl-imidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile; oxalic acid Formula: C20H25N5O6 MolecularWeight: 431.4424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCN2CCN(C2=O)C3=CC=CC=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCCN2CCN(C2=O)C3=CC=CC=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N5O2.C2H2O4/c19-13-16-7-4-9-22(16)17(24)14-20-8-10-21-11-12-23(18(21)25)15-5-2-1-3-6-15;3-1(4)2(5)6/h1-3,5-6,16,20H,4,7-12,14H2;(H,3,4)(H,5,6)/t16-;/m0./s1