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(Q82959678)
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English
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 1-[(4-fluorophenyl)methyl]-5-oxoprolinate
group of stereoisomers with the chemical formula C₁₈H₂₂FNO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
351.14820102399995
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₂₂FNO₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1(C)OCC(COC(=O)C2CCC(=O)N2Cc2ccc(F)cc2)O1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC1(C)OCC(COC(=O)[C@@H]2CCC(=O)N2Cc2ccc(F)cc2)O1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H22FNO5/c1-18(2)24-11-14(25-18)10-23-17(22)15-7-8-16(21)20(15)9-12-3-5-13(19)6-4-12/h3-6,14-15H,7-11H2,1-2H3/t14?,15-/m0/s1
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InChIKey
NESFVXPJDIYJAJ-LOACHALJSA-N
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CAS Registry Number
59749-40-5
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PubChem CID
3042478
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49759559
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20975160
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DSSTOX compound identifier
DTXCID101402569
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