[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H21BrClNO4 MolecularWeight: 454.74204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C20H21BrClNO4/c1-13-5-6-14(2)17(10-13)23-19(24)12-27-20(25)4-3-9-26-18-8-7-15(21)11-16(18)22/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,24)