ETHANAMINE, 2-(4-(2-CHLORO-1,2-DIPHENYLETHENYL)PHENOXY)-N,N-DIETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

ChemSpider ID: 4925597
Molecular Formula: C₃₂H₃₆ClNO₈
Average mass: 598.08313 Da
Monoisotopic mass: 597.212952 Da
Systematic name

2-{4-[(E)-2-Chloro-1,2-diphenylvinyl]phenoxy}-N,N-diethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
SMILES and InChIs

SMILES:

O=C(O)C(O)(CC(=O)O)CC(=O)O.Cl/C(c1ccccc1)=C(/c2ccc(OCCN(CC)CC)cc2)c3ccccc3 Copied

Std. InChI:

InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b26-25+; Copied

Std. InChIKey:

PYTMYKVIJXPNBD-BTKVJIOYSA-N Copied
Cite this record
CSID:4925597, http://www.chemspider.com/Chemical-Structure.4925597.html (accessed 14:57, May 24, 2013) Copied

Names and Identifiers

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

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