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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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