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

Systemtic Name: cyclohexyl 4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]benzoate Openeye Name: cyclohexyl 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]benzoic acid cyclohexyl ester IUPAC Name: cyclohexyl 4-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoic acid cyclohexyl ester Formula: C27H34BrNO4 MolecularWeight: 516.46716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Br

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)C(=O)OC3CCCCC3)Br

InChI

InChI=1S/C27H34BrNO4/c1-27(2,3)20-13-16-24(23(28)18-20)32-17-7-10-25(30)29-21-14-11-19(12-15-21)26(31)33-22-8-5-4-6-9-22/h11-16,18,22H,4-10,17H2,1-3H3,(H,29,30)