[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 4-(4-bromanylphenoxy)butanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 4-(4-bromophenoxy)butanoate CAS Name: 4-(4-bromophenoxy)butanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 4-(4-bromophenoxy)butanoate Traditional Name: 4-(4-bromophenoxy)butyric acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H23BrN2O5 MolecularWeight: 415.27892

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCCOC1=CC=C(C=C1)Br

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)CCCOC1=CC=C(C=C1)Br

InChI

InChI=1S/C17H23BrN2O5/c1-3-12(2)19-17(23)20-15(21)11-25-16(22)5-4-10-24-14-8-6-13(18)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H2,19,20,21,23)/t12-/m0/s1