CHEBI:104898 - 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
ChEBI ID CHEBI:104898
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H18F3NO4
Net Charge 0
Average Mass 381.346
Monoisotopic Mass 381.11879
InChI InChI=1S/C19H18F3NO4/c1-26-17(24)14-9-23(13-7-8-13)10-15(18(25)27-2)16(14)11-3-5-12(6-4-11)19(20,21)22/h3-6,9-10,13,16H,7-8H2,1-2H3
InChIKey OJFRRKLTWZHENI-UHFFFAOYSA-N
SMILES COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)C3CC3
ChEBI Ontology
Outgoing 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester (CHEBI:104898) is a (trifluoromethyl)benzenes (CHEBI:83565)
Manual Xref Database
LSM-16261 LINCS
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