ethanedioic acid; ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(2-pyridylmethyl)piperazine-1-carboxylate; oxalic acid CAS Name: oxalic acid; 4-(2-pyridinylmethyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(pyridin-2-ylmethyl)piperazine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-(2-pyridylmethyl)piperazine-1-carboxylic acid ethyl ester Formula: C15H21N3O6 MolecularWeight: 339.34374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC=CC=N2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H19N3O2.C2H2O4/c1-2-18-13(17)16-9-7-15(8-10-16)11-12-5-3-4-6-14-12;3-1(4)2(5)6/h3-6H,2,7-11H2,1H3;(H,3,4)(H,5,6)