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(Q82318635)
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English
Benzoic acid, 3-[(1,3-dioxo-3-phenylpropyl)amino]-, octyl ester
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
395.4923
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₄H₂₉NO₄
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canonical SMILES
CCCCCCCCOC(=O)C1=CC(=CC=C1)NC(=O)CC(=O)C2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C24H29NO4/c1-2-3-4-5-6-10-16-29-24(28)20-14-11-15-21(17-20)25-23(27)18-22(26)19-12-8-7-9-13-19/h7-9,11-15,17H,2-6,10,16,18H2,1H3,(H,25,27)
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InChIKey
QIIDKODATWMKFN-UHFFFAOYSA-N
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CAS Registry Number
61580-27-6
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PubChem CID
12250030
1 reference
matched by identifier from
InChIKey
InChIKey
QIIDKODATWMKFN-UHFFFAOYSA-N
UniChem compound ID
47650126
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80482380
1 reference
matched by identifier from
InChIKey
InChIKey
QIIDKODATWMKFN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID80433190
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