[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanyl-2-chloranyl-phenoxy)butanoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 4-(4-bromo-2-chloro-phenoxy)butanoate CAS Name: 4-(4-bromo-2-chlorophenoxy)butanoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 4-(4-bromo-2-chlorophenoxy)butanoate Traditional Name: 4-(4-bromo-2-chloro-phenoxy)butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H25BrClNO4 MolecularWeight: 482.7952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)CCCOC2=C(C=C(C=C2)Br)Cl

InChI

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