4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 4-(2-bromanyl-4-tert-butyl-phenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide Openeye Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide CAS Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide IUPAC Name: 4-(2-bromo-4-tert-butylphenoxy)-N-[3-(trifluoromethyl)phenyl]butanamide Traditional Name: 4-(2-bromo-4-tert-butyl-phenoxy)-N-[3-(trifluoromethyl)phenyl]butyramide Formula: C21H23BrF3NO2 MolecularWeight: 458.31203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C21H23BrF3NO2/c1-20(2,3)14-9-10-18(17(22)13-14)28-11-5-8-19(27)26-16-7-4-6-15(12-16)21(23,24)25/h4,6-7,9-10,12-13H,5,8,11H2,1-3H3,(H,26,27)