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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(4-methylanilino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-(p-toluidino)ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrNO4/c1-14-7-9-16(10-8-14)21-18(22)13-25-19(23)6-3-11-24-17-5-2-4-15(20)12-17/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,22)