ethanedioic acid; ethyl 5-[2-(4-ethylpiperazin-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 5-[2-(4-ethylpiperazin-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-ethylpiperazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate; oxalic acid CAS Name: 5-[2-(4-ethyl-1-piperazinyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 5-[2-(4-ethylpiperazin-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate; oxalic acid Traditional Name: 5-[2-(4-ethylpiperazino)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester; oxalic acid Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3.C2H2O4/c1-5-19-7-9-20(10-8-19)11-14(21)16-12(3)15(13(4)18-16)17(22)23-6-2;3-1(4)2(5)6/h18H,5-11H2,1-4H3;(H,3,4)(H,5,6)