CHEBI:116242 - 4-chloro-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]benzoic acid methyl ester

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ChEBI Name 4-chloro-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]benzoic acid methyl ester
ChEBI ID CHEBI:116242
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C16H21ClN2O3
Net Charge 0
Average Mass 324.803
Monoisotopic Mass 324.12407
InChI InChI=1S/C16H21ClN2O3/c1-11-5-7-19(8-6-11)10-15(20)18-14-9-12(16(21)22-2)3-4-13(14)17/h3-4,9,11H,5-8,10H2,1-2H3,(H,18,20)
InChIKey VMEHJKKDVHVRQV-UHFFFAOYSA-N
SMILES CC1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 4-chloro-3-[[2-(4-methyl-1-piperidinyl)-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:116242) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-27697 LINCS
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