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

Systemtic Name: ethanedioic acid; pentyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: oxalic acid; pentyl 4-amino-1-benzyl-piperidine-4-carboxylate CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid pentyl ester; oxalic acid IUPAC Name: oxalic acid; pentyl 4-amino-1-benzylpiperidine-4-carboxylate Traditional Name: 4-amino-1-benzyl-isonipecotic acid amyl ester; oxalic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2.C2H2O4/c1-2-3-7-14-22-17(21)18(19)10-12-20(13-11-18)15-16-8-5-4-6-9-16;3-1(4)2(5)6/h4-6,8-9H,2-3,7,10-15,19H2,1H3;(H,3,4)(H,5,6)