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

Systemtic Name: ethanedioic acid; heptyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: heptyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid heptyl ester; oxalic acid IUPAC Name: heptyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-amino-1-benzyl-isonipecotic acid heptyl ester; oxalic acid Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O2.C2H2O4/c1-2-3-4-5-9-16-24-19(23)20(21)12-14-22(15-13-20)17-18-10-7-6-8-11-18;3-1(4)2(5)6/h6-8,10-11H,2-5,9,12-17,21H2,1H3;(H,3,4)(H,5,6)