3-(2-methylpropylamino)-5-(trifluoromethyl)benzoic acid

Systemtic Name: 3-(2-methylpropylamino)-5-(trifluoromethyl)benzoic acid Openeye Name: 3-(isobutylamino)-5-(trifluoromethyl)benzoic acid CAS Name: 3-(2-methylpropylamino)-5-(trifluoromethyl)benzoic acid IUPAC Name: 3-(2-methylpropylamino)-5-(trifluoromethyl)benzoic acid Traditional Name: 3-(isobutylamino)-5-(trifluoromethyl)benzoic acid Formula: C12H14F3NO2 MolecularWeight: 261.24027

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC(=CC(=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CNC1=CC(=CC(=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C12H14F3NO2/c1-7(2)6-16-10-4-8(11(17)18)3-9(5-10)12(13,14)15/h3-5,7,16H,6H2,1-2H3,(H,17,18)