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

Systemtic Name: ethanedioic acid; hexyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: hexyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid hexyl ester; oxalic acid IUPAC Name: hexyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-amino-1-benzyl-isonipecotic acid hexyl ester; oxalic acid Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O2.C2H2O4/c1-2-3-4-8-15-23-18(22)19(20)11-13-21(14-12-19)16-17-9-6-5-7-10-17;3-1(4)2(5)6/h5-7,9-10H,2-4,8,11-16,20H2,1H3;(H,3,4)(H,5,6)