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

Systemtic Name: ethanedioic acid; N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-isopentyl-piperidine-4-carboxamide; oxalic acid CAS Name: N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-(3-methylbutyl)-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: 1-(3-benzoxybenzyl)-N-isoamyl-isonipecotamide; oxalic acid Formula: C27H36N2O6 MolecularWeight: 484.58454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H34N2O2.C2H2O4/c1-20(2)11-14-26-25(28)23-12-15-27(16-13-23)18-22-9-6-10-24(17-22)29-19-21-7-4-3-5-8-21;3-1(4)2(5)6/h3-10,17,20,23H,11-16,18-19H2,1-2H3,(H,26,28);(H,3,4)(H,5,6)