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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-(phenylmethyl)-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-benzyl-1-(3-ethoxy-4-hydroxy-benzyl)isonipecotamide; oxalic acid Formula: C24H30N2O7 MolecularWeight: 458.5042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NCC3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H28N2O3.C2H2O4/c1-2-27-21-14-18(8-9-20(21)25)16-24-12-10-19(11-13-24)22(26)23-15-17-6-4-3-5-7-17;3-1(4)2(5)6/h3-9,14,19,25H,2,10-13,15-16H2,1H3,(H,23,26);(H,3,4)(H,5,6)