ethanedioic acid; ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate

Systemtic Name: ethanedioic acid; ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate; oxalic acid CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 4-piperonylpiperazine-1-carboxylic acid ethyl ester Formula: C17H22N2O8 MolecularWeight: 382.36518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H20N2O4.C2H2O4/c1-2-19-15(18)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13;3-1(4)2(5)6/h3-4,9H,2,5-8,10-11H2,1H3;(H,3,4)(H,5,6)