N-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-butyl-1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-butyl-piperidine-4-carboxamide; oxalic acid CAS Name: N-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-butyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-butyl-isonipecotamide; oxalic acid Formula: C27H36N2O7 MolecularWeight: 500.58394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O3.C2H2O4/c1-3-4-14-26-25(28)22-12-15-27(16-13-22)18-21-10-11-23(24(17-21)29-2)30-19-20-8-6-5-7-9-20;3-1(4)2(5)6/h5-11,17,22H,3-4,12-16,18-19H2,1-2H3,(H,26,28);(H,3,4)(H,5,6)