methyl 4-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(2-bromanyl-4-tert-butyl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2-bromo-4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-bromo-4-tert-butyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-20(2,3)14-7-10-17(16(21)11-14)26-12-18(23)22-15-8-5-13(6-9-15)19(24)25-4/h5-11H,12H2,1-4H3,(H,22,23)