2-[4-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)propanoyl]piperazin-1-yl]-N-methyl-ethanamide; ethanedioic acid

Systemtic Name: 2-[4-[3-(3,5-dimethoxy-4-oxidanyl-phenyl)propanoyl]piperazin-1-yl]-N-methyl-ethanamide; ethanedioic acid Openeye Name: 2-[4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)propanoyl]piperazin-1-yl]-N-methyl-acetamide; oxalic acid CAS Name: 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxopropyl]-1-piperazinyl]-N-methylacetamide; oxalic acid IUPAC Name: 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide; oxalic acid Traditional Name: 2-[4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)propanoyl]piperazino]-N-methyl-acetamide; oxalic acid Formula: C20H29N3O9 MolecularWeight: 455.45896

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CNC(=O)CN1CCN(CC1)C(=O)CCC2=CC(=C(C(=C2)OC)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O5.C2H2O4/c1-19-16(22)12-20-6-8-21(9-7-20)17(23)5-4-13-10-14(25-2)18(24)15(11-13)26-3;3-1(4)2(5)6/h10-11,24H,4-9,12H2,1-3H3,(H,19,22);(H,3,4)(H,5,6)