ethanedioic acid; N-phenethyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; N-phenethyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide Openeye Name: oxalic acid; N-phenethyl-1-(3-pyridylmethyl)piperidine-4-carboxamide CAS Name: oxalic acid; N-phenethyl-1-(3-pyridinylmethyl)-4-piperidinecarboxamide IUPAC Name: oxalic acid; N-phenethyl-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide Traditional Name: oxalic acid; N-phenethyl-1-(3-pyridylmethyl)isonipecotamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)NCCC2=CC=CC=C2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3O.C2H2O4/c24-20(22-12-8-17-5-2-1-3-6-17)19-9-13-23(14-10-19)16-18-7-4-11-21-15-18;3-1(4)2(5)6/h1-7,11,15,19H,8-10,12-14,16H2,(H,22,24);(H,3,4)(H,5,6)