butyl 3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]benzoate Openeye Name: butyl 3-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]benzoate CAS Name: 3-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-bromo-4-ethyl-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(=CC=C1)NC(=O)COC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)CC)Br

InChI

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