A9E

2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone

Created:	2017-08-17
Last modified:	2017-11-01

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1 entries where A9E is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	6

2D diagram of A9E

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Chemical Component Summary
Name	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
Systematic Name (OpenEye OEToolkits)	2-(4-ethylphenoxy)-1-piperidin-1-yl-ethanone
Formula	C₁₅ H₂₁ N O₂
Molecular Weight	247.333
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1ccc(OCC(=O)N2CCCCC2)cc1
SMILES	OpenEye OEToolkits	2.0.6	CCc1ccc(cc1)OCC(=O)N2CCCCC2
Canonical SMILES	CACTVS	3.385	CCc1ccc(OCC(=O)N2CCCCC2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1ccc(cc1)OCC(=O)N2CCCCC2
InChI	InChI	1.03	InChI=1S/C15H21NO2/c1-2-13-6-8-14(9-7-13)18-12-15(17)16-10-4-3-5-11-16/h6-9H,2-5,10-12H2,1H3
InChIKey	InChI	1.03	NWXWQKFUSIRDFR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	905454

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