4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]benzamide

Systemtic Name: 4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]benzamide Openeye Name: 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzamide CAS Name: 4-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]benzamide IUPAC Name: 4-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzamide Traditional Name: 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzamide Formula: C21H25BrN2O3 MolecularWeight: 433.3388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-21(2,3)15-8-11-18(17(22)13-15)27-12-4-5-19(25)24-16-9-6-14(7-10-16)20(23)26/h6-11,13H,4-5,12H2,1-3H3,(H2,23,26)(H,24,25)