ethanedioic acid; methyl 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; methyl 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate Openeye Name: methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate; oxalic acid CAS Name: oxalic acid; 4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-(N-propanoylanilino)piperidine-4-carboxylate; oxalic acid Traditional Name: 1-benzyl-4-(N-propionylanilino)isonipecotic acid methyl ester; oxalic acid Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O3.C2H2O4/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19;3-1(4)2(5)6/h4-13H,3,14-18H2,1-2H3;(H,3,4)(H,5,6)