4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoic acid CAS Name: 4-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)Br)OCC(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C19H20BrNO4/c1-19(2,3)15-10-13(20)6-9-16(15)25-11-17(22)21-14-7-4-12(5-8-14)18(23)24/h4-10H,11H2,1-3H3,(H,21,22)(H,23,24)