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

Systemtic Name: ethanedioic acid; (2S)-1-[2-[2-(2-oxidanylidene-3-phenethyl-imidazolidin-1-yl)ethylamino]ethanoyl]pyrrolidine-2-carbonitrile Openeye Name: oxalic acid; (2S)-1-[2-[2-(2-oxo-3-phenethyl-imidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile CAS Name: oxalic acid; (2S)-1-[1-oxo-2-[2-(2-oxo-3-phenethyl-1-imidazolidinyl)ethylamino]ethyl]-2-pyrrolidinecarbonitrile IUPAC Name: oxalic acid; (2S)-1-[2-[2-(2-oxo-3-phenethylimidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[2-[2-(2-keto-3-phenethyl-imidazolidin-1-yl)ethylamino]acetyl]pyrrolidine-2-carbonitrile; oxalic acid Formula: C22H29N5O6 MolecularWeight: 459.49556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCN2CCN(C2=O)CCC3=CC=CC=C3)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCCN2CCN(C2=O)CCC3=CC=CC=C3)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N5O2.C2H2O4/c21-15-18-7-4-10-25(18)19(26)16-22-9-12-24-14-13-23(20(24)27)11-8-17-5-2-1-3-6-17;3-1(4)2(5)6/h1-3,5-6,18,22H,4,7-14,16H2;(H,3,4)(H,5,6)/t18-;/m0./s1