ethyl 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid ethyl ester Formula: C21H23BrClNO4 MolecularWeight: 468.76862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C21H23BrClNO4/c1-4-27-21(26)15-8-5-6-9-16(15)24-18(25)10-7-11-28-17-12-13(2)20(23)14(3)19(17)22/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,24,25)