ethanedioic acid; 1-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-(2-oxidanyl-2-phenyl-ethyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(2-hydroxy-2-phenyl-ethyl)piperazin-1-yl]ethanone; oxalic acid CAS Name: 1-[4-(2-hydroxy-2-phenylethyl)-1-piperazinyl]ethanone; oxalic acid IUPAC Name: 1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-(2-hydroxy-2-phenyl-ethyl)piperazino]ethanone; oxalic acid Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)N1CCN(CC1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O2.C2H2O4/c1-12(17)16-9-7-15(8-10-16)11-14(18)13-5-3-2-4-6-13;3-1(4)2(5)6/h2-6,14,18H,7-11H2,1H3;(H,3,4)(H,5,6)