ethanedioic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

Systemtic Name: ethanedioic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Openeye Name: oxalic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one CAS Name: oxalic acid; 1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinone IUPAC Name: oxalic acid; 1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one Traditional Name: oxalic acid; 1-(4-pyrrolidinobut-2-ynyl)-2-pyrrolidone Formula: C30H42N4O14 MolecularWeight: 682.67288

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC#CCN2CCCC2=O.C1CCN(C1)CC#CCN2CCCC2=O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/2C12H18N2O.3C2H2O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*3-1(4)2(5)6/h2*1-2,5-11H2;3*(H,3,4)(H,5,6)