ethanedioic acid; octyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; octyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: octyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid octyl ester; oxalic acid IUPAC Name: octyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-amino-1-benzyl-isonipecotic acid octyl ester; oxalic acid Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)N.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O2.C2H2O4/c1-2-3-4-5-6-10-17-25-20(24)21(22)13-15-23(16-14-21)18-19-11-8-7-9-12-19;3-1(4)2(5)6/h7-9,11-12H,2-6,10,13-18,22H2,1H3;(H,3,4)(H,5,6)