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

Systemtic Name: hexyl 4-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate Openeye Name: hexyl 4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(2-bromo-4-ethylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]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)CCCOC2=C(C=C(C=C2)CC)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO4/c1-3-5-6-7-16-31-25(29)20-11-13-21(14-12-20)27-24(28)9-8-17-30-23-15-10-19(4-2)18-22(23)26/h10-15,18H,3-9,16-17H2,1-2H3,(H,27,28)