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(Q83117501)
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English
Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-oxo-2-((1-(2-(propenyl)-4-piperidinyl)oxy)ethyl 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
479.9563
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₂₆ClN₃O₄
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canonical SMILES
C=CCN1CCC(CC1)OC(=O)COC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl
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Identifiers
InChI
InChI=1S/C26H26ClN3O4/c1-2-13-30-14-10-19(11-15-30)34-25(31)17-33-26(32)21-5-3-4-6-22(21)29-23-9-12-28-24-16-18(27)7-8-20(23)24/h2-9,12,16,19H,1,10-11,13-15,17H2,(H,28,29)
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InChIKey
NDUGXSQEVKPTFA-UHFFFAOYSA-N
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CAS Registry Number
86518-64-1
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PubChem CID
3070496
1 reference
matched by identifier from
InChIKey
InChIKey
NDUGXSQEVKPTFA-UHFFFAOYSA-N
UniChem compound ID
25657452
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10235624
1 reference
matched by identifier from
InChIKey
InChIKey
NDUGXSQEVKPTFA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40158115
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