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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazines > pyrimidines > 2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid

Preferred term

2-(/{[(2r,4s,5r)-5-/{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl/}-1-azabicyclo[2.2.2]oct-2-yl]methyl/}carbamoyl)benzoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C28H27F3N4O3

inchi

  • InChI=1S/C28H27F3N4O3/c1-16-33-24(17-6-8-19(9-7-17)28(29,30)31)13-25(34-16)23-15-35-11-10-18(23)12-20(35)14-32-26(36)21-4-2-3-5-22(21)27(37)38/h2-9,13,18,20,23H,10-12,14-15H2,1H3,(H,32,36)(H,37,38)/t18-,20+,23-/m0/s1

inchikey

  • ZQEVVJSGKVZKPO-NOXFTYBFSA-N

mass

  • 524.544

monoisotopicmass

  • 524.20353

smiles

  • FC(F)(F)C1=CC=C(C=2N=C(N=C([C@@]3([C@@]4(C[C@@H]([NH+](C3)CC4)CNC(=O)C=5C(=CC=CC5)C([O-])=O)[H])[H])C2)C)C=C1

subset

  • 2_STAR

synonym EXACT

  • 2-[[(2R,4S,5R)-5-[2-methyl-6-[4-(triluoromethyl)phenyl]pyrimidin-4-yl]-1-azoniabicyclo[2.2.2]octan-2-yl]methylcarbamoyl]benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189472

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