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

Systemtic Name: hexyl 4-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]benzoate Openeye Name: hexyl 4-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]benzoic acid hexyl ester Formula: C24H30BrNO4 MolecularWeight: 476.4033

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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)CCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H30BrNO4/c1-3-5-6-7-15-29-24(28)19-10-12-20(13-11-19)26-23(27)17-30-22-14-9-18(8-4-2)16-21(22)25/h9-14,16H,3-8,15,17H2,1-2H3,(H,26,27)