ethanedioic acid; 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: ethanedioic acid; 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: oxalic acid; 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: oxalic acid; 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: oxalic acid; 2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: oxalic acid; 2-phenoxy-1-[4-(3-phenoxybenzyl)piperazino]ethanone Formula: C27H28N2O7 MolecularWeight: 492.52042

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)COC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O3.C2H2O4/c28-25(20-29-22-9-3-1-4-10-22)27-16-14-26(15-17-27)19-21-8-7-13-24(18-21)30-23-11-5-2-6-12-23;3-1(4)2(5)6/h1-13,18H,14-17,19-20H2;(H,3,4)(H,5,6)