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(Q82884005)
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English
9-Methyl-6-(propan-2-yl)-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate
group of stereoisomers with the chemical formula C₂₀H₂₇NO₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
345.19400834400005
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₇NO₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(C)C1C(OC(=O)C(CO)c2ccccc2)CC2C3OC3C1N2C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)C1[C@H]2C3OC3[C@@H](C[C@H]1OC(=O)[C@H](CO)c1ccccc1)N2C
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H27NO4/c1-11(2)16-15(9-14-18-19(25-18)17(16)21(14)3)24-20(23)13(10-22)12-7-5-4-6-8-12/h4-8,11,13-19,22H,9-10H2,1-3H3/t13-,14-,15-,16?,17+,18?,19?/m1/s1
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InChIKey
OOKDXJKKCVYGFW-DRWFAUKLSA-N
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CAS Registry Number
98167-05-6
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PubChem CID
44144478
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
45924226
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID40913408
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DSSTOX compound identifier
DTXCID401342413
0 references
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