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(Q82904864)
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English
Methyl 3-(benzoyloxy)-8-formyl-8-azabicyclo[3.2.1]octane-2-carboxylate
group of stereoisomers with the chemical formula C₁₇H₁₉NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
317.12632270800003
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₉NO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CC[C@H]1N2C=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H19NO5/c1-22-17(21)15-13-8-7-12(18(13)10-19)9-14(15)23-16(20)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t12?,13-,14?,15?/m1/s1
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InChIKey
FPEWJDXCHAXYMI-MXTXEEQBSA-N
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CAS Registry Number
137360-14-6
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PubChem CID
3035676
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
53905132
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90929771
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DSSTOX compound identifier
DTXCID601358513
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