ethanedioic acid; N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide

Systemtic Name: ethanedioic acid; N-methyl-N-[4-[3-(4-methylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanamide Openeye Name: N-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-methyl-acetamide; oxalic acid CAS Name: N-[4-[2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy]phenyl]-N-methylacetamide; oxalic acid IUPAC Name: N-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenyl]-N-methylacetamide; oxalic acid Traditional Name: N-[4-[2-hydroxy-3-(4-methylpiperazino)propoxy]phenyl]-N-methyl-acetamide; oxalic acid Formula: C19H29N3O7 MolecularWeight: 411.44946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)N(C)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H27N3O3.C2H2O4/c1-14(21)19(3)15-4-6-17(7-5-15)23-13-16(22)12-20-10-8-18(2)9-11-20;3-1(4)2(5)6/h4-7,16,22H,8-13H2,1-3H3;(H,3,4)(H,5,6)