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

Systemtic Name: 5-(3-methylbutanoylamino)-2-(trifluoromethyl)benzoic acid Openeye Name: 5-(3-methylbutanoylamino)-2-(trifluoromethyl)benzoic acid CAS Name: 5-[(3-methyl-1-oxobutyl)amino]-2-(trifluoromethyl)benzoic acid IUPAC Name: 5-(3-methylbutanoylamino)-2-(trifluoromethyl)benzoic acid Traditional Name: 5-(isovalerylamino)-2-(trifluoromethyl)benzoic acid Formula: C13H14F3NO3 MolecularWeight: 289.25037

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC(=C(C=C1)C(F)(F)F)C(=O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC(=C(C=C1)C(F)(F)F)C(=O)O

InChI

InChI=1S/C13H14F3NO3/c1-7(2)5-11(18)17-8-3-4-10(13(14,15)16)9(6-8)12(19)20/h3-4,6-7H,5H2,1-2H3,(H,17,18)(H,19,20)