1H-azepin-2-ylmethyl piperidine-4-carboxylate

Systemtic Name: 1H-azepin-2-ylmethyl piperidine-4-carboxylate Openeye Name: 1H-azepin-2-ylmethyl piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid 1H-azepin-2-ylmethyl ester IUPAC Name: 1H-azepin-2-ylmethyl piperidine-4-carboxylate Traditional Name: isonipecotic acid 1H-azepin-2-ylmethyl ester Formula: C13H18N2O2 MolecularWeight: 234.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)OCC2=CC=CC=CN2

Isomeric SMILES

C1CNCCC1C(=O)OCC2=CC=CC=CN2

InChI

InChI=1S/C13H18N2O2/c16-13(11-5-8-14-9-6-11)17-10-12-4-2-1-3-7-15-12/h1-4,7,11,14-15H,5-6,8-10H2