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2-{1-[(dimethylamino)methyl]cyclohexyl}-1-(3-methylphenyl)ethyl 4-nitrobenzoate hydrochloride

ChemSpider ID: 2103379
Molecular Formula: C₂₅H₃₃ClN₂O₄
Average mass: 460.9935 Da
Monoisotopic mass: 460.212891 Da
Systematic name

2-{1-[(Dimethylamino)methyl]cyclohexyl}-1-(3-methylphenyl)ethyl 4-nitrobenzoate hydrochloride (1:1)
SMILES and InChIs

SMILES:

Cl.[O-][N+](=O)c1ccc(cc1)C(=O)OC(c2cccc(c2)C)CC3(CN(C)C)CCCCC3 Copied

Std. InChI:

InChI=1S/C25H32N2O4.ClH/c1-19-8-7-9-21(16-19)23(17-25(18-26(2)3)14-5-4-6-15-25)31-24(28)20-10-12-22(13-11-20)27(29)30;/h7-13,16,23H,4-6,14-15,17-18H2,1-3H3;1H Copied

Std. InChIKey:

XPJUYUDOANAJAU-UHFFFAOYSA-N Copied
Cite this record
CSID:2103379, http://www.chemspider.com/Chemical-Structure.2103379.html (accessed 23:38, May 25, 2013) Copied

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

2-{1-[(dimethylamino)methyl]cyclohexyl}-1-(3-methylphenyl)ethyl 4-nitrobenzoate hydrochloride

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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