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

Systemtic Name: ethanedioic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone Openeye Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenyl-methanone CAS Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: oxalic acid; [4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone Traditional Name: oxalic acid; [4-(3-phenoxybenzyl)piperazino]-phenyl-methanone Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2.C2H2O4/c27-24(21-9-3-1-4-10-21)26-16-14-25(15-17-26)19-20-8-7-13-23(18-20)28-22-11-5-2-6-12-22;3-1(4)2(5)6/h1-13,18H,14-17,19H2;(H,3,4)(H,5,6)