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

Systemtic Name: ethanedioic acid; 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]-N-phenethyl-piperidine-4-carboxamide Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-N-phenethyl-piperidine-4-carboxamide; oxalic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-phenethyl-4-piperidinecarboxamide; oxalic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-phenethylpiperidine-4-carboxamide; oxalic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)-N-phenethyl-isonipecotamide; oxalic acid Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)NCCC3=CC=CC=C3)OCC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H34N2O3.C2H2O4/c1-33-28-20-25(12-13-27(28)34-22-24-10-6-3-7-11-24)21-31-18-15-26(16-19-31)29(32)30-17-14-23-8-4-2-5-9-23;3-1(4)2(5)6/h2-13,20,26H,14-19,21-22H2,1H3,(H,30,32);(H,3,4)(H,5,6)