6-tert-butyl-4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 6-tert-butyl-4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 6-tert-butyl-4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 6-tert-butyl-4-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 6-tert-butyl-4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 6-tert-butyl-4-(trifluoromethyl)quinoline-3-carboxylate Formula: C15H13F3NO2- MolecularWeight: 296.26443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C(=CN=C2C=C1)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC2=C(C(=CN=C2C=C1)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H14F3NO2/c1-14(2,3)8-4-5-11-9(6-8)12(15(16,17)18)10(7-19-11)13(20)21/h4-7H,1-3H3,(H,20,21)/p-1