[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C20H22BrNO4 MolecularWeight: 420.29698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C20H22BrNO4/c1-14-8-10-17(11-9-14)22-20(24)15(2)26-19(23)7-4-12-25-18-6-3-5-16(21)13-18/h3,5-6,8-11,13,15H,4,7,12H2,1-2H3,(H,22,24)/t15-/m0/s1