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

Systemtic Name: [2-[[2-(ethylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-[[2-(ethylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-[[2-(ethylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C16H21BrN2O5 MolecularWeight: 401.25234

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

Isomeric SMILES

CCNC(=O)CNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C16H21BrN2O5/c1-2-18-14(20)10-19-15(21)11-24-16(22)7-4-8-23-13-6-3-5-12(17)9-13/h3,5-6,9H,2,4,7-8,10-11H2,1H3,(H,18,20)(H,19,21)