[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-bromanylphenoxy)butanoate

Systemtic Name: [(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [(2S)-1-(ethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H20BrNO4 MolecularWeight: 358.2276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)OC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

CCNC(=O)[C@H](C)OC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C15H20BrNO4/c1-3-17-15(19)11(2)21-14(18)5-4-10-20-13-8-6-12(16)7-9-13/h6-9,11H,3-5,10H2,1-2H3,(H,17,19)/t11-/m0/s1