[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4/c1-14-9-15(2)11-17(10-14)22-19(23)13-26-20(24)7-4-8-25-18-6-3-5-16(21)12-18/h3,5-6,9-12H,4,7-8,13H2,1-2H3,(H,22,23)