CHEBI:104924 - 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester

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ChEBI Name 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester
ChEBI ID CHEBI:104924
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H19F2N3O7
Net Charge 0
Average Mass 439.368
Monoisotopic Mass 439.11911
InChI InChI=1S/C19H19F2N3O7/c1-23-16(22)15(17(27)24(2)19(23)28)11(25)9-30-14(26)7-5-10-4-6-12(31-18(20)21)13(8-10)29-3/h4-8,18H,9,22H2,1-3H3
InChIKey YYOCXODFEFIMFX-UHFFFAOYSA-N
SMILES CN1C(=C(C(=O)N(C1=O)C)C(=O)COC(=O)C=CC2=CC(=C(C=C2)OC(F)F)OC)N
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 3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester (CHEBI:104924) is a hydroxycinnamic acid (CHEBI:24689)
Manual Xref Database
LSM-16287 LINCS
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