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(Q82816172)
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English
4-[3-(2-Acetamidoethyl)-5-methoxy-1H-indol-1-yl]benzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
352.1423071199999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₀N₂O₄
0 references
canonical SMILES
CC(=O)NCCC1=CN(C2=C1C=C(C=C2)OC)C3=CC=C(C=C3)C(=O)O
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Identifiers
InChI
InChI=1S/C20H20N2O4/c1-13(23)21-10-9-15-12-22(16-5-3-14(4-6-16)20(24)25)19-8-7-17(26-2)11-18(15)19/h3-8,11-12H,9-10H2,1-2H3,(H,21,23)(H,24,25)
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InChIKey
ORDSXBVXTVHTGL-UHFFFAOYSA-N
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CAS Registry Number
88103-56-4
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PubChem CID
71410834
1 reference
matched by identifier from
InChIKey
InChIKey
ORDSXBVXTVHTGL-UHFFFAOYSA-N
UniChem compound ID
52966066
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90830494
1 reference
matched by identifier from
InChIKey
InChIKey
ORDSXBVXTVHTGL-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50781236
0 references
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