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CAS Number: 161558-45-8
2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 4-nitrobenzoate

Structure

2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 4-nitrobenzoate
Name: 2-((4-chlorophenyl)(piperidin-4-yloxy)methyl)pyridine 4-nitrobenzoate
Synonyms:
General Information
Product Number: 161558458

CAS Registry Number 161558-45-8
Name:
Benzoic acid, 4-​nitro-​, compd. with 2-​[(4-​chlorophenyl)​(4-​piperidinyloxy)​methyl]​pyridine (1:1)
Pyridine, 2-[(4-chlorophenyl)(4-piperidinyloxy)methyl]-, mono(4-nitrobenzoate) (9CI)
4-[(4-Chlorophenyl)-2-pyridylmethoxy]piperidine p-nitrobenzoic acid salt

 

Chemical Formula: C24H24ClN3O5
Exact Mass: 469.14
Molecular Weight: 469.92
m/z: 469.14 (100.0%), 471.14 (33.3%), 470.14 (27.3%), 472.14 (8.5%), 471.15 (3.4%), 473.14 (1.5%)

 

InChI:InChI=1S/C17H19ClN2O.C7H5NO4/c18-14-6-4-13(5-7-14)17(16-3-1-2-10-20-16)21-15-8-11-19-12-9-15;9-7(10)5-1-3-6(4-2-5)8(11)12/h1-7,10,15,17,19H,8-9,11-12H2;1-4H,(H,9,10)

InChI Key:UQSUJCNJGVBZCU-UHFFFAOYSA-N

Canonical SMILES:C1CNCCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C1=CC(=CC=C1C(=O)O)[N+](=O)[O-]

Specification

98%

References

IP.com Journal (2011), 11(6A), 18.                                 

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