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

Systemtic Name: hexyl 4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]benzoate Openeye Name: hexyl 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoic acid hexyl ester Formula: C27H36BrNO4 MolecularWeight: 518.48304

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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)C(C)(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C27H36BrNO4/c1-5-6-7-8-17-33-26(31)20-11-14-22(15-12-20)29-25(30)10-9-18-32-24-16-13-21(19-23(24)28)27(2,3)4/h11-16,19H,5-10,17-18H2,1-4H3,(H,29,30)