ethanedioic acid; N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: ethanedioic acid; N-[(4-methylphenyl)methyl]piperidine-4-carboxamide Openeye Name: oxalic acid; N-(p-tolylmethyl)piperidine-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-[(4-methylphenyl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-(4-methylbenzyl)isonipecotamide; oxalic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCNCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CCNCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H20N2O.C2H2O4/c1-11-2-4-12(5-3-11)10-16-14(17)13-6-8-15-9-7-13;3-1(4)2(5)6/h2-5,13,15H,6-10H2,1H3,(H,16,17);(H,3,4)(H,5,6)