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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester

Preferred term

1-cyclopropyl-4-[4-(trifluoromethyl)phenyl]-4h-pyridine-3,5-dicarboxylic acid dimethyl ester  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C19H18F3NO4

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

mass

  • 381.346

monoisotopicmass

  • 381.11879

smiles

  • COC(=O)C1=CN(C=C(C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OC)C3CC3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:104898

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