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(Q83036667)
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English
1H-Pyrrole-3,4-dicarboxylic acid, 1-butyl-2-methyl-5-(phenylmethyl)-, dimethyl 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
343.17835827999994
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₅NO₄
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canonical SMILES
CCCCN1C(=C(C(=C1CC2=CC=CC=C2)C(=O)OC)C(=O)OC)C
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Identifiers
InChI
InChI=1S/C20H25NO4/c1-5-6-12-21-14(2)17(19(22)24-3)18(20(23)25-4)16(21)13-15-10-8-7-9-11-15/h7-11H,5-6,12-13H2,1-4H3
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InChIKey
MSUBZYFZHDXGDW-UHFFFAOYSA-N
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CAS Registry Number
162151-92-0
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PubChem CID
461158
1 reference
matched by identifier from
InChIKey
InChIKey
MSUBZYFZHDXGDW-UHFFFAOYSA-N
UniChem compound ID
51185700
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30167317
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DSSTOX compound identifier
DTXCID0089808
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