4-[4-(1-methylpyrazol-4-yl)-9-oxidanyl-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid

Systemtic Name: 4-[4-(1-methylpyrazol-4-yl)-9-oxidanyl-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid Openeye Name: 4-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid CAS Name: 4-[[9-hydroxy-4-(1-methyl-4-pyrazolyl)-9-(trifluoromethyl)-2-fluorenyl]oxy]butanoic acid IUPAC Name: 4-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxybutanoic acid Traditional Name: 4-[9-hydroxy-4-(1-methylpyrazol-4-yl)-9-(trifluoromethyl)fluoren-2-yl]oxybutyric acid Formula: C22H19F3N2O4 MolecularWeight: 432.39247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC3=C2C4=CC=CC=C4C3(C(F)(F)F)O)OCCCC(=O)O

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC3=C2C4=CC=CC=C4C3(C(F)(F)F)O)OCCCC(=O)O

InChI

InChI=1S/C22H19F3N2O4/c1-27-12-13(11-26-27)16-9-14(31-8-4-7-19(28)29)10-18-20(16)15-5-2-3-6-17(15)21(18,30)22(23,24)25/h2-3,5-6,9-12,30H,4,7-8H2,1H3,(H,28,29)