ethanedioic acid; 1-[3-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[3-[3-(4-ethanoylpiperazin-1-yl)-2-oxidanyl-propoxy]phenyl]ethanone Openeye Name: 1-[3-[3-(4-acetylpiperazin-1-yl)-2-hydroxy-propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[3-[3-(4-acetyl-1-piperazinyl)-2-hydroxypropoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[3-[3-(4-acetylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[3-[3-(4-acetylpiperazino)-2-hydroxy-propoxy]phenyl]ethanone; oxalic acid Formula: C19H26N2O8 MolecularWeight: 410.41834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4.C2H2O4/c1-13(20)15-4-3-5-17(10-15)23-12-16(22)11-18-6-8-19(9-7-18)14(2)21;3-1(4)2(5)6/h3-5,10,16,22H,6-9,11-12H2,1-2H3;(H,3,4)(H,5,6)