1-[2-({[2-(Ethoxymethyl)phenyl]carbamoyl}oxy)ethyl]azepanium hydrogen oxalate

ChemSpider ID: 49239
Molecular Formula: C₂₀H₃₀N₂O₇
Average mass: 410.461395 Da
Monoisotopic mass: 410.205292 Da
Systematic name

1-[2-({[2-(Ethoxymethyl)phenyl]carbamoyl}oxy)ethyl]azepanium hydrogen oxalate
SMILES and InChIs

SMILES:

[O-]C(=O)C(=O)O.O=C(OCC[NH+]1CCCCCC1)Nc2ccccc2COCC Copied

Std. InChI:

InChI=1S/C18H28N2O3.C2H2O4/c1-2-22-15-16-9-5-6-10-17(16)19-18(21)23-14-13-20-11-7-3-4-8-12-20;3-1(4)2(5)6/h5-6,9-10H,2-4,7-8,11-15H2,1H3,(H,19,21);(H,3,4)(H,5,6) Copied

Std. InChIKey:

KUBFSVCNGXINIL-UHFFFAOYSA-N Copied
Cite this record
CSID:49239, http://www.chemspider.com/Chemical-Structure.49239.html (accessed 00:20, May 22, 2013) Copied

Names and Identifiers

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library