N-{3-[4-(Octyloxy)phenyl]propyl}-β-alanine hydrochloride (1:1)

ChemSpider ID: 16147116
Molecular Formula: C₂₀H₃₄ClNO₃
Average mass: 371.941895 Da
Monoisotopic mass: 371.222717 Da
Systematic name

N-{3-[4-(Octyloxy)phenyl]propyl}-β-alanine hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.OC(=O)CCNCCCc1ccc(OCCCCCCCC)cc1 Copied

Std. InChI:

InChI=1S/C20H33NO3.ClH/c1-2-3-4-5-6-7-17-24-19-12-10-18(11-13-19)9-8-15-21-16-14-20(22)23;/h10-13,21H,2-9,14-17H2,1H3,(H,22,23);1H Copied

Std. InChIKey:

SWBZEKVJISAFMV-UHFFFAOYSA-N Copied
Cite this record
CSID:16147116, http://www.chemspider.com/Chemical-Structure.16147116.html (accessed 15:34, May 24, 2012) Copied

ChemSpider Searches

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