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

Systemtic Name: propyl 3-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]benzoate Openeye Name: propyl 3-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate CAS Name: 3-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]benzoic acid propyl ester IUPAC Name: propyl 3-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]benzoate Traditional Name: 3-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoic acid propyl ester Formula: C22H25BrClNO4 MolecularWeight: 482.7952

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CCCOC(=O)C1=CC(=CC=C1)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C22H25BrClNO4/c1-4-10-29-22(27)16-7-5-8-17(13-16)25-19(26)9-6-11-28-18-12-14(2)21(24)15(3)20(18)23/h5,7-8,12-13H,4,6,9-11H2,1-3H3,(H,25,26)