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

Systemtic Name: hexyl 4-[2-(4-bromanyl-2-ethyl-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-bromo-2-ethylphenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(4-bromo-2-ethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2-ethyl-phenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-3-5-6-7-14-28-23(27)18-8-11-20(12-9-18)25-22(26)16-29-21-13-10-19(24)15-17(21)4-2/h8-13,15H,3-7,14,16H2,1-2H3,(H,25,26)