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English
Methyl 8-methyl-2-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
group of stereoisomers with the chemical formula C₁₆H₂₁NO₂
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
259.157228912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₁NO₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1CC2CCC(C1c1ccccc1)N2C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1CC2CC[C@H](C1c1ccccc1)N2C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H21NO2/c1-17-12-8-9-14(17)15(11-6-4-3-5-7-11)13(10-12)16(18)19-2/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15?/m1/s1
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InChIKey
KCKMEVZULURHST-MIGSVPMKSA-N
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CAS Registry Number
68366-40-5
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PubChem CID
3052048
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
26330364
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10987914
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DSSTOX compound identifier
DTXCID601415064
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