hexyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: hexyl 4-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: hexyl 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid hexyl ester Formula: C25H31BrClNO4 MolecularWeight: 524.87494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C25H31BrClNO4/c1-4-5-6-7-14-32-25(30)19-10-12-20(13-11-19)28-22(29)9-8-15-31-21-16-17(2)24(27)18(3)23(21)26/h10-13,16H,4-9,14-15H2,1-3H3,(H,28,29)