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

Systemtic Name: 2-(azocan-1-yl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide; ethanedioic acid Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azocan-1-yl)acetamide; oxalic acid CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1-azocanyl)acetamide; oxalic acid IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azocan-1-yl)acetamide; oxalic acid Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(azocan-1-yl)acetamide; oxalic acid Formula: C20H26N2O8 MolecularWeight: 422.42904

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCCCCC3)OCO2.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3CCCCCCC3)OCO2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H24N2O4.C2H2O4/c1-13(21)14-9-16-17(24-12-23-16)10-15(14)19-18(22)11-20-7-5-3-2-4-6-8-20;3-1(4)2(5)6/h9-10H,2-8,11-12H2,1H3,(H,19,22);(H,3,4)(H,5,6)