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

Systemtic Name: N-butyl-N-(phenylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-benzyl-N-butyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-N-(phenylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-butyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-butyl-1-(3,4,5-trimethoxybenzyl)isonipecotamide; oxalic acid Formula: C29H40N2O8 MolecularWeight: 544.6365

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CCN(CC2)CC3=CC(=C(C(=C3)OC)OC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H38N2O4.C2H2O4/c1-5-6-14-29(20-21-10-8-7-9-11-21)27(30)23-12-15-28(16-13-23)19-22-17-24(31-2)26(33-4)25(18-22)32-3;3-1(4)2(5)6/h7-11,17-18,23H,5-6,12-16,19-20H2,1-4H3;(H,3,4)(H,5,6)