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

Systemtic Name: butyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate; ethanedioic acid Openeye Name: butyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid butyl ester; oxalic acid IUPAC Name: butyl 4-amino-1-benzylpiperidine-4-carboxylate; oxalic acid Traditional Name: 4-amino-1-benzyl-isonipecotic acid butyl ester; oxalic acid Formula: C19H28N2O6 MolecularWeight: 380.43542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2.C2H2O4/c1-2-3-13-21-16(20)17(18)9-11-19(12-10-17)14-15-7-5-4-6-8-15;3-1(4)2(5)6/h4-8H,2-3,9-14,18H2,1H3;(H,3,4)(H,5,6)