ethanedioic acid; N-(2-hydroxyethyl)-N-(phenylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; N-(2-hydroxyethyl)-N-(phenylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-benzyl-N-(2-hydroxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-(2-hydroxyethyl)-N-(phenylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-(2-hydroxyethyl)-1-(3,4,5-trimethoxybenzyl)isonipecotamide; oxalic acid Formula: C27H36N2O9 MolecularWeight: 532.58274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O5.C2H2O4/c1-30-22-15-20(16-23(31-2)24(22)32-3)17-26-11-9-21(10-12-26)25(29)27(13-14-28)18-19-7-5-4-6-8-19;3-1(4)2(5)6/h4-8,15-16,21,28H,9-14,17-18H2,1-3H3;(H,3,4)(H,5,6)