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(Q76545556)
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English
methyl 2-{[(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-1-enyl]amino}benzoate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
325.131408088
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₁₉NO₄
0 references
canonical SMILES
COC(=O)c1ccccc1N/C=C(\C)Cc1ccc2c(c1)OCO2
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=C\NC1=CC=CC=C1C(=O)OC)/CC2=CC3=C(C=C2)OCO3
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Identifiers
InChI
InChI=1S/C19H19NO4/c1-13(9-14-7-8-17-18(10-14)24-12-23-17)11-20-16-6-4-3-5-15(16)19(21)22-2/h3-8,10-11,20H,9,12H2,1-2H3/b13-11+
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InChIKey
LUXWNKRPTQDZRB-ACCUITESSA-N
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CAS Registry Number
125778-19-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
44147575
1 reference
matched by identifier from
InChIKey
InChIKey
LUXWNKRPTQDZRB-ACCUITESSA-N
UniChem compound ID
62074696
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID401122013
1 reference
matched by identifier from
InChIKey
InChIKey
LUXWNKRPTQDZRB-ACCUITESSA-N
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