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

Systemtic Name: hexyl 4-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO4/c1-5-6-7-8-15-30-24(29)18-9-12-20(13-10-18)27-23(28)17-31-22-14-11-19(26)16-21(22)25(2,3)4/h9-14,16H,5-8,15,17H2,1-4H3,(H,27,28)