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(Q82554172)
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English
Ethyl 3-{4-[(4-methylpiperazin-1-yl)methyl]benzoyl}benzoate
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
366.19434269199996
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₂₆N₂O₃
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canonical SMILES
CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)CN3CCN(CC3)C
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Identifiers
InChI
InChI=1S/C22H26N2O3/c1-3-27-22(26)20-6-4-5-19(15-20)21(25)18-9-7-17(8-10-18)16-24-13-11-23(2)12-14-24/h4-10,15H,3,11-14,16H2,1-2H3
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InChIKey
MPNAKOWRYPVQNM-UHFFFAOYSA-N
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CAS Registry Number
898783-53-4
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PubChem CID
24724565
1 reference
matched by identifier from
InChIKey
InChIKey
MPNAKOWRYPVQNM-UHFFFAOYSA-N
UniChem compound ID
24449393
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00642964
1 reference
matched by identifier from
InChIKey
InChIKey
MPNAKOWRYPVQNM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID50593715
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