ethanedioic acid; methyl 4-benzamido-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; methyl 4-benzamido-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: methyl 4-benzamido-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-benzamido-1-(phenylmethyl)-4-piperidinecarboxylic acid methyl ester; oxalic acid IUPAC Name: methyl 4-benzamido-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-benzamido-1-benzyl-isonipecotic acid methyl ester; oxalic acid Formula: C23H26N2O7 MolecularWeight: 442.46174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O3.C2H2O4/c1-26-20(25)21(22-19(24)18-10-6-3-7-11-18)12-14-23(15-13-21)16-17-8-4-2-5-9-17;3-1(4)2(5)6/h2-11H,12-16H2,1H3,(H,22,24);(H,3,4)(H,5,6)