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

Systemtic Name: hexyl 4-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 4-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-bromo-2,6-dimethyl-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=C2C)Br)C

Isomeric SMILES

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

InChI

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