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

Systemtic Name: ethanedioic acid; 1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone Openeye Name: oxalic acid; 1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2-phenyl-ethanone CAS Name: oxalic acid; 1-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-2-phenylethanone IUPAC Name: oxalic acid; 1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone Traditional Name: oxalic acid; 1-[4-(3-phenoxybenzyl)piperazino]-2-phenyl-ethanone Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H26N2O2.C2H2O4/c28-25(19-21-8-3-1-4-9-21)27-16-14-26(15-17-27)20-22-10-7-13-24(18-22)29-23-11-5-2-6-12-23;3-1(4)2(5)6/h1-13,18H,14-17,19-20H2;(H,3,4)(H,5,6)