Benzoic acid, 2-ethoxy-, 2- (diethylamino)-1-phenylethyl ester, hydrochloride

ChemSpider ID: 47260
Molecular Formula: C₂₁H₂₈ClNO₃
Average mass: 377.904907 Da
Monoisotopic mass: 377.175781 Da
Systematic name

2-[(2-Ethoxybenzoyl)oxy]-N,N-diethyl-2-phenylethanaminium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(OC(c1ccccc1)C[NH+](CC)CC)c2ccccc2OCC Copied

Std. InChI:

InChI=1S/C21H27NO3.ClH/c1-4-22(5-2)16-20(17-12-8-7-9-13-17)25-21(23)18-14-10-11-15-19(18)24-6-3;/h7-15,20H,4-6,16H2,1-3H3;1H Copied

Std. InChIKey:

QSJMQOPHOXDMOZ-UHFFFAOYSA-N Copied
Cite this record
CSID:47260, http://www.chemspider.com/Chemical-Structure.47260.html (accessed 16:16, May 18, 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