ethanedioic acid; pyridin-3-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; pyridin-3-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: oxalic acid; 3-pyridyl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: oxalic acid; 3-pyridinyl-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: oxalic acid; pyridin-3-yl-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: oxalic acid; 3-pyridyl-[4-(2,4,5-trimethoxybenzyl)piperazino]methanone Formula: C22H27N3O8 MolecularWeight: 461.46508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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