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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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