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

Systemtic Name: 2-methylpropyl 4-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]benzoate Openeye Name: isobutyl 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoate CAS Name: 4-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate Traditional Name: 4-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]benzoic acid isobutyl ester Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO4/c1-17(2)16-31-24(29)18-8-11-20(12-9-18)27-23(28)7-6-14-30-22-13-10-19(15-21(22)26)25(3,4)5/h8-13,15,17H,6-7,14,16H2,1-5H3,(H,27,28)