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(Q82161067)
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English
Butyl 4-[(4-Methoxybenzylidene)amino]cinnamate
group of stereoisomers with the chemical formula C₂₁H₂₃NO₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
337.167793596
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₃NO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCOC(=O)C=Cc1ccc(/N=C/c2ccc(OC)cc2)cc1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
CCCCOC(=O)C=Cc1ccc(/N=C/c2ccc(OC)cc2)cc1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C21H23NO3/c1-3-4-15-25-21(23)14-9-17-5-10-19(11-6-17)22-16-18-7-12-20(24-2)13-8-18/h5-14,16H,3-4,15H2,1-2H3/b14-9?,22-16+
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InChIKey
CULYZFOOJBHBNM-RLDNVJSHSA-N
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CAS Registry Number
16833-17-3
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DSSTox substance ID
DTXSID00372996
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DSSTOX compound identifier
DTXCID70324028
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