ethanedioic acid; 2-phenoxy-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenoxy-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-phenoxy-ethanone; oxalic acid CAS Name: oxalic acid; 2-phenoxy-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-phenoxyethanone; oxalic acid Traditional Name: 1-(4-benzylpiperazino)-2-phenoxy-ethanone; oxalic acid Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)COC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H22N2O2.C2H2O4/c22-19(16-23-18-9-5-2-6-10-18)21-13-11-20(12-14-21)15-17-7-3-1-4-8-17;3-1(4)2(5)6/h1-10H,11-16H2;(H,3,4)(H,5,6)