27P

1-[2-(4-benzylphenoxy)ethyl]pyrrolidine

Created:	2008-12-11
Last modified:	2011-06-04

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1 entries where 27P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of 27P

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Chemical Component Summary
Name	1-[2-(4-benzylphenoxy)ethyl]pyrrolidine
Systematic Name (OpenEye OEToolkits)	1-[2-[4-(phenylmethyl)phenoxy]ethyl]pyrrolidine
Formula	C₁₉ H₂₃ N O
Molecular Weight	281.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(cc1)Cc2ccccc2)CCN3CCCC3
SMILES	CACTVS	3.341	C1CCN(C1)CCOc2ccc(Cc3ccccc3)cc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3
Canonical SMILES	CACTVS	3.341	C1CCN(C1)CCOc2ccc(Cc3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cc2ccc(cc2)OCCN3CCCC3
InChI	InChI	1.03	InChI=1S/C19H23NO/c1-2-6-17(7-3-1)16-18-8-10-19(11-9-18)21-15-14-20-12-4-5-13-20/h1-3,6-11H,4-5,12-16H2
InChIKey	InChI	1.03	JQTXWEHBUDESJC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL14608
PubChem	164472
ChEMBL	CHEMBL14608

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