ethanedioic acid; 1-[(3-phenylmethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; 1-[(3-phenylmethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-(2-pyridylmethyl)piperidine-4-carboxamide; oxalic acid CAS Name: oxalic acid; 1-[(3-phenylmethoxyphenyl)methyl]-N-(2-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: oxalic acid; 1-[(3-phenylmethoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-(2-pyridylmethyl)isonipecotamide; oxalic acid Formula: C28H31N3O6 MolecularWeight: 505.56224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CC=CC=N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CC=CC=N2)CC3=CC(=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H29N3O2.C2H2O4/c30-26(28-18-24-10-4-5-14-27-24)23-12-15-29(16-13-23)19-22-9-6-11-25(17-22)31-20-21-7-2-1-3-8-21;3-1(4)2(5)6/h1-11,14,17,23H,12-13,15-16,18-20H2,(H,28,30);(H,3,4)(H,5,6)