ethanedioic acid; pyridin-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; pyridin-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: oxalic acid; 3-pyridyl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: oxalic acid; 3-pyridinyl-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: oxalic acid; pyridin-3-yl-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: oxalic acid; 3-pyridyl-[4-(2,3,4-trimethoxybenzyl)piperazino]methanone Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=CC=C3)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CN=CC=C3)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O4.C2H2O4/c1-25-17-7-6-16(18(26-2)19(17)27-3)14-22-9-11-23(12-10-22)20(24)15-5-4-8-21-13-15;3-1(4)2(5)6/h4-8,13H,9-12,14H2,1-3H3;(H,3,4)(H,5,6)