ethanedioic acid; 4-[2-oxidanyl-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[2-oxidanyl-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propoxy]benzonitrile; oxalic acid CAS Name: 4-[2-hydroxy-3-[3-(2-oxo-1-pyrrolidinyl)propylamino]propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[2-hydroxy-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propoxy]benzonitrile; oxalic acid Traditional Name: 4-[2-hydroxy-3-[3-(2-ketopyrrolidino)propylamino]propoxy]benzonitrile; oxalic acid Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNCC(COC2=CC=C(C=C2)C#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(=O)N(C1)CCCNCC(COC2=CC=C(C=C2)C#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O3.C2H2O4/c18-11-14-4-6-16(7-5-14)23-13-15(21)12-19-8-2-10-20-9-1-3-17(20)22;3-1(4)2(5)6/h4-7,15,19,21H,1-3,8-10,12-13H2;(H,3,4)(H,5,6)