[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-14-5-6-15(2)18(12-14)22-19(23)13-26-20(24)4-3-11-25-17-9-7-16(21)8-10-17/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,23)