CHEBI:109733 - 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester

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ChEBI Name 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester
ChEBI ID CHEBI:109733
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H19NO6
Net Charge 0
Average Mass 345.347
Monoisotopic Mass 345.12124
InChI InChI=1S/C18H19NO6/c1-11-4-6-13(25-11)7-9-16(20)19-15-10-12(17(21)23-2)5-8-14(15)18(22)24-3/h4-6,8,10H,7,9H2,1-3H3,(H,19,20)
InChIKey WPNRKSLKGMWAJF-UHFFFAOYSA-N
SMILES CC1=CC=C(O1)CCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC
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 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester (CHEBI:109733) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-21161 LINCS
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