5-bromanyl-2-[2-(4-tert-butylphenoxy)ethanoylamino]benzoic acid

Systemtic Name: 5-bromanyl-2-[2-(4-tert-butylphenoxy)ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoic acid Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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