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Almorexant

ChemSpider ID: 24750945
Molecular Formula: C₂₉H₃₁F₃N₂O₃
Average mass: 512.563171 Da
Monoisotopic mass: 512.228699 Da
Systematic name

(2R)-2-[(1R)-6,7-Dimethoxy-1-{2-[4-(trifluoromethyl)phenyl]ethyl}-3,4-dihydro-2(1H)-isoquinolinyl]-N-methyl-2-phenylacetamide
SMILES and InChIs

SMILES:

CNC(=O)[C@@H](c1ccccc1)N2CCc3cc(c(cc3[C@H]2CCc4ccc(cc4)C(F)(F)F)OC)OC Copied

Std. InChI:

InChI=1S/C29H31F3N2O3/c1-33-28(35)27(20-7-5-4-6-8-20)34-16-15-21-17-25(36-2)26(37-3)18-23(21)24(34)14-11-19-9-12-22(13-10-19)29(30,31)32/h4-10,12-13,17-18,24,27H,11,14-16H2,1-3H3,(H,33,35)/t24-,27-/m1/s1 Copied

Std. InChIKey:

DKMACHNQISHMDN-SHQCIBLASA-N Copied
Cite this record
CSID:24750945, http://www.chemspider.com/Chemical-Structure.24750945.html (accessed 13:32, May 19, 2013) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Almorexant

871224-64-5 [RN]

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

Click to predict properties on the Chemicalize site

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