ethanedioic acid; phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: oxalic acid; phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: oxalic acid; phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: oxalic acid; phenyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: oxalic acid; phenyl-[4-(2,4,5-trimethoxybenzyl)piperazino]methanone Formula: C23H28N2O8 MolecularWeight: 460.47702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O4.C2H2O4/c1-25-18-14-20(27-3)19(26-2)13-17(18)15-22-9-11-23(12-10-22)21(24)16-7-5-4-6-8-16;3-1(4)2(5)6/h4-8,13-14H,9-12,15H2,1-3H3;(H,3,4)(H,5,6)