ethanedioic acid; phenyl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; phenyl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: oxalic acid; phenyl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: oxalic acid; phenyl-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: oxalic acid; phenyl-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: oxalic acid; phenyl-[4-(3,4,5-trimethoxybenzyl)piperazino]methanone Formula: C23H28N2O8 MolecularWeight: 460.47702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

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