butyl 3-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: butyl 3-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]benzoate Openeye Name: butyl 3-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[4-(2-bromo-4-ethylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]benzoic acid butyl ester Formula: C23H28BrNO4 MolecularWeight: 462.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrNO4/c1-3-5-13-29-23(27)18-8-6-9-19(16-18)25-22(26)10-7-14-28-21-12-11-17(4-2)15-20(21)24/h6,8-9,11-12,15-16H,3-5,7,10,13-14H2,1-2H3,(H,25,26)