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

Systemtic Name: ethanedioic acid; phenethyl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: oxalic acid; phenethyl 4-amino-1-benzyl-piperidine-4-carboxylate CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid phenethyl ester; oxalic acid IUPAC Name: oxalic acid; phenethyl 4-amino-1-benzylpiperidine-4-carboxylate Traditional Name: 4-amino-1-benzyl-isonipecotic acid phenethyl ester; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)OCCC2=CC=CC=C2)N)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1(C(=O)OCCC2=CC=CC=C2)N)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c22-21(20(24)25-16-11-18-7-3-1-4-8-18)12-14-23(15-13-21)17-19-9-5-2-6-10-19;3-1(4)2(5)6/h1-10H,11-17,22H2;(H,3,4)(H,5,6)