4-tert-butyl-3-[3-[2-(trifluoromethyl)phenyl]octanoylamino]benzoic acid

Systemtic Name: 4-tert-butyl-3-[3-[2-(trifluoromethyl)phenyl]octanoylamino]benzoic acid Openeye Name: 4-tert-butyl-3-[3-[2-(trifluoromethyl)phenyl]octanoylamino]benzoic acid CAS Name: 4-tert-butyl-3-[[1-oxo-3-[2-(trifluoromethyl)phenyl]octyl]amino]benzoic acid IUPAC Name: 4-tert-butyl-3-[3-[2-(trifluoromethyl)phenyl]octanoylamino]benzoic acid Traditional Name: 4-tert-butyl-3-[3-[2-(trifluoromethyl)phenyl]octanoylamino]benzoic acid Formula: C26H32F3NO3 MolecularWeight: 463.53239

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C(C)(C)C)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C26H32F3NO3/c1-5-6-7-10-17(19-11-8-9-12-20(19)26(27,28)29)16-23(31)30-22-15-18(24(32)33)13-14-21(22)25(2,3)4/h8-9,11-15,17H,5-7,10,16H2,1-4H3,(H,30,31)(H,32,33)