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(Q82956822)
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English
N-(2-Methyldecahydroisoquinolin-6-yl)benzenecarboximidic acid
group of stereoisomers with the chemical formula C₁₇H₂₄N₂O
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
272.188863388
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₄N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CN1CCC2CC(N=C(O)c3ccccc3)CCC2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CN1CC[C@H]2CC(NC(=O)c3ccccc3)CC[C@H]2C1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H24N2O/c1-19-10-9-14-11-16(8-7-15(14)12-19)18-17(20)13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3,(H,18,20)/t14-,15-,16?/m0/s1
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InChIKey
ILRKBPHYFRNEMK-KSCSMHSMSA-N
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CAS Registry Number
57464-27-4
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PubChem CID
42352
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60018043
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50972980
0 references
DSSTOX compound identifier
DTXCID001400439
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