CHEBI:108058 - 2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester
ChEBI ID CHEBI:108058
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C25H29N3O5
Net Charge 0
Average Mass 451.516
Monoisotopic Mass 451.21072
InChI InChI=1S/C25H29N3O5/c1-6-32-24(30)17(5)33-20-10-8-7-9-19(20)22-21(16(4)26-25(31)28-22)23(29)27-18-12-11-14(2)15(3)13-18/h7-13,17,22H,6H2,1-5H3,(H,27,29)(H2,26,28,31)
InChIKey WSTFXSAIFZIREN-UHFFFAOYSA-N
SMILES CCOC(=O)C(C)OC1=CC=CC=C1C2C(=C(NC(=O)N2)C)C(=O)NC3=CC(=C(C=C3)C)C
ChEBI Ontology
Outgoing 2-[2-[5-[(3,4-dimethylanilino)-oxomethyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoic acid ethyl ester (CHEBI:108058) is a carboxylic ester (CHEBI:33308)
Manual Xref Database
LSM-19435 LINCS
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