N-butyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-benzyl-N-butyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-N-butyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-N-butyl-1-(3-ethoxy-4-hydroxy-benzyl)isonipecotamide; oxalic acid Formula: C28H38N2O7 MolecularWeight: 514.61052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O3.C2H2O4/c1-3-5-15-28(20-21-9-7-6-8-10-21)26(30)23-13-16-27(17-14-23)19-22-11-12-24(29)25(18-22)31-4-2;3-1(4)2(5)6/h6-12,18,23,29H,3-5,13-17,19-20H2,1-2H3;(H,3,4)(H,5,6)