[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-(propargylamino)ethyl] ester Formula: C15H16BrNO4 MolecularWeight: 354.19584

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

Isomeric SMILES

C#CCNC(=O)COC(=O)CCCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C15H16BrNO4/c1-2-8-17-14(18)11-21-15(19)7-4-9-20-13-6-3-5-12(16)10-13/h1,3,5-6,10H,4,7-9,11H2,(H,17,18)