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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(=O)N)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC=C2C(=O)N)Br

InChI

InChI=1S/C21H25BrN2O3/c1-21(2,3)14-10-11-18(16(22)13-14)27-12-6-9-19(25)24-17-8-5-4-7-15(17)20(23)26/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H2,23,26)(H,24,25)