24P

(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine

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

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1 entries where 24P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	12

2D diagram of 24P

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Chemical Component Summary
Name	(2R)-2-[(4-benzylphenoxy)methyl]pyrrolidine
Systematic Name (OpenEye OEToolkits)	(2R)-2-[[4-(phenylmethyl)phenoxy]methyl]pyrrolidine
Formula	C₁₈ H₂₁ N O
Molecular Weight	267.365
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1ccc(cc1)Cc2ccccc2)CC3NCCC3
SMILES	CACTVS	3.341	C1CN[CH](C1)COc2ccc(Cc3ccccc3)cc2
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cc2ccc(cc2)OCC3CCCN3
Canonical SMILES	CACTVS	3.341	C1CN[C@H](C1)COc2ccc(Cc3ccccc3)cc2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)Cc2ccc(cc2)OC[C@H]3CCCN3
InChI	InChI	1.03	InChI=1S/C18H21NO/c1-2-5-15(6-3-1)13-16-8-10-18(11-9-16)20-14-17-7-4-12-19-17/h1-3,5-6,8-11,17,19H,4,7,12-14H2/t17-/m1/s1
InChIKey	InChI	1.03	NXNMORHGFGYRDN-QGZVFWFLSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL571091
PubChem	16222640
ChEMBL	CHEMBL571091

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