ethanedioic acid; methyl 5-oxidanylidene-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxylate

Systemtic Name: ethanedioic acid; methyl 5-oxidanylidene-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxylate Openeye Name: methyl 5-oxo-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxylate; oxalic acid CAS Name: oxalic acid; 5-oxo-1-[4-(1-pyrrolidinyl)but-2-ynyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 5-oxo-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidine-2-carboxylate; oxalic acid Traditional Name: 5-keto-1-(4-pyrrolidinobut-2-ynyl)pyrrolidine-2-carboxylic acid methyl ester; oxalic acid Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(=O)N1CC#CCN2CCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1CCC(=O)N1CC#CCN2CCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c1-19-14(18)12-6-7-13(17)16(12)11-5-4-10-15-8-2-3-9-15;3-1(4)2(5)6/h12H,2-3,6-11H2,1H3;(H,3,4)(H,5,6)