CAS Registry Number 648418-25-1
Name:
1H-​Azepine-​1-​carboxylic acid, hexahydro-​4-​hydroxy-​, phenylmethyl ester

Chemical Formula: C14H19NO3
Exact Mass: 249.14
Molecular Weight: 249.31
m/z: 249.14 (100.0%), 250.14 (15.5%), 251.14 (1.8%)

InChI: InChI=1S/C14H19NO3/c16-13-7-4-9-15(10-8-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2
InChIKey: GJXUQWPNVHGPQC-UHFFFAOYSA-N
Canonical SMILES : C1CC(CCN(C1)C(=O)OCC2=CC=CC=C2)O

Specification

98%

PCT Int. Appl. (2010), WO 2010114971 A1 20101007. 

PCT Int. Appl. (2010), WO 2010095663 A1 20100826.