ethanedioic acid; 4-[2-oxidanyl-3-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)amino]propoxy]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 4-[2-oxidanyl-3-[(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)amino]propoxy]benzenecarbonitrile Openeye Name: 4-[2-hydroxy-3-[(3-oxo-3-pyrrolidin-1-yl-propyl)amino]propoxy]benzonitrile; oxalic acid CAS Name: 4-[2-hydroxy-3-[[3-oxo-3-(1-pyrrolidinyl)propyl]amino]propoxy]benzonitrile; oxalic acid IUPAC Name: 4-[2-hydroxy-3-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propoxy]benzonitrile; oxalic acid Traditional Name: 4-[2-hydroxy-3-[(3-keto-3-pyrrolidino-propyl)amino]propoxy]benzonitrile; oxalic acid Formula: C19H25N3O7 MolecularWeight: 407.4177

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CCNCC(COC2=CC=C(C=C2)C#N)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)C(=O)CCNCC(COC2=CC=C(C=C2)C#N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O3.C2H2O4/c18-11-14-3-5-16(6-4-14)23-13-15(21)12-19-8-7-17(22)20-9-1-2-10-20;3-1(4)2(5)6/h3-6,15,19,21H,1-2,7-10,12-13H2;(H,3,4)(H,5,6)