butyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]benzoic acid butyl ester Formula: C21H24BrNO4 MolecularWeight: 434.32356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2C)Br)C

InChI

InChI=1S/C21H24BrNO4/c1-4-5-10-26-21(25)16-6-8-18(9-7-16)23-19(24)13-27-20-14(2)11-17(22)12-15(20)3/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,23,24)