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(Q82621910)
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English
Methyl (3R,4R)-4-[3-(6-methoxyquinolin-4-yl)-3-oxopropyl]piperidine-3-carboxylate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
356.17360724799994
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₄N₂O₄
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canonical SMILES
COC(=O)C1CNCCC1CCC(=O)c1ccnc2ccc(OC)cc12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC2=C(C=CN=C2C=C1)C(=O)CC[C@@H]3CCNC[C@@H]3C(=O)OC
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Identifiers
InChI
InChI=1S/C20H24N2O4/c1-25-14-4-5-18-16(11-14)15(8-10-22-18)19(23)6-3-13-7-9-21-12-17(13)20(24)26-2/h4-5,8,10-11,13,17,21H,3,6-7,9,12H2,1-2H3/t13-,17+/m1/s1
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InChIKey
SGFHXWJMYMNURF-DYVFJYSZSA-N
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CAS Registry Number
333782-30-2
1 reference
InChIKey
SGFHXWJMYMNURF-DYVFJYSZSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=333782-30-2
PubChem CID
53238173
1 reference
matched by identifier from
InChIKey
InChIKey
SGFHXWJMYMNURF-DYVFJYSZSA-N
UniChem compound ID
31871678
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90692872
1 reference
matched by identifier from
InChIKey
InChIKey
SGFHXWJMYMNURF-DYVFJYSZSA-N
DSSTOX compound identifier
DTXCID30643621
0 references
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