hexyl 4-[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]benzoate

Systemtic Name: hexyl 4-[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2,4-dibromophenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2,4-dibromophenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C21H23Br2NO4 MolecularWeight: 513.21962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23Br2NO4/c1-2-3-4-5-12-27-21(26)15-6-9-17(10-7-15)24-20(25)14-28-19-11-8-16(22)13-18(19)23/h6-11,13H,2-5,12,14H2,1H3,(H,24,25)