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4-({(3-Fluorobenzyl)[4-(2-quinolinylmethoxy)phenyl]amino}methyl)benzoate

ChemSpider ID: 21227979
Molecular Formula: C₃₁H₂₄FN₂O₃
Average mass: 491.532806 Da
Monoisotopic mass: 491.177643 Da
Systematic name

4-({(3-Fluorobenzyl)[4-(2-quinolinylmethoxy)phenyl]amino}methyl)benzoate
SMILES and InChIs

SMILES:

[O-]C(=O)c1ccc(cc1)CN(c4ccc(OCc2nc3ccccc3cc2)cc4)Cc5cccc(F)c5 Copied

Std. InChI:

InChI=1S/C31H25FN2O3/c32-26-6-3-4-23(18-26)20-34(19-22-8-10-25(11-9-22)31(35)36)28-14-16-29(17-15-28)37-21-27-13-12-24-5-1-2-7-30(24)33-27/h1-18H,19-21H2,(H,35,36)/p-1 Copied

Std. InChIKey:

KRCUWCAUDKTMPB-UHFFFAOYSA-M Copied
Cite this record
CSID:21227979, http://www.chemspider.com/Chemical-Structure.21227979.html (accessed 01:09, May 25, 2012) Copied

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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