ethanedioic acid; propan-2-yl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; propan-2-yl 4-azanyl-1-(phenylmethyl)piperidine-4-carboxylate Openeye Name: isopropyl 4-amino-1-benzyl-piperidine-4-carboxylate; oxalic acid CAS Name: 4-amino-1-(phenylmethyl)-4-piperidinecarboxylic acid propan-2-yl ester; oxalic acid IUPAC Name: oxalic acid; propan-2-yl 4-amino-1-benzylpiperidine-4-carboxylate Traditional Name: 4-amino-1-benzyl-isonipecotic acid isopropyl ester; oxalic acid Formula: C18H26N2O6 MolecularWeight: 366.40884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2.C2H2O4/c1-13(2)20-15(19)16(17)8-10-18(11-9-16)12-14-6-4-3-5-7-14;3-1(4)2(5)6/h3-7,13H,8-12,17H2,1-2H3;(H,3,4)(H,5,6)