ethanedioic acid; N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamide

Systemtic Name: ethanedioic acid; N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethyl-1-piperazinyl)acetamide; oxalic acid IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethylpiperazin-1-yl)acetamide; oxalic acid Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-ethylpiperazino)acetamide; oxalic acid Formula: C19H25N3O8 MolecularWeight: 423.4171

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCN(CC1)CC(=O)NC2=CC3=C(C=C2C(=O)C)OCO3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O4.C2H2O4/c1-3-19-4-6-20(7-5-19)10-17(22)18-14-9-16-15(23-11-24-16)8-13(14)12(2)21;3-1(4)2(5)6/h8-9H,3-7,10-11H2,1-2H3,(H,18,22);(H,3,4)(H,5,6)