methyl 4-[2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]ethyl]benzoate

Systemtic Name: methyl 4-[2-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]ethyl]benzoate Openeye Name: methyl 4-[2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]ethyl]benzoate CAS Name: 4-[2-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]ethyl]benzoate Traditional Name: 4-[2-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]ethyl]benzoic acid methyl ester Formula: C19H19BrClNO4 MolecularWeight: 440.71546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)OC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CC(C(=O)NCCC1=CC=C(C=C1)C(=O)OC)OC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C19H19BrClNO4/c1-12(26-17-8-7-15(21)11-16(17)20)18(23)22-10-9-13-3-5-14(6-4-13)19(24)25-2/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)