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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C19H20BrNO4 MolecularWeight: 406.2704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)COC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C19H20BrNO4/c20-16-8-4-9-17(12-16)24-11-5-10-19(23)25-14-18(22)21-13-15-6-2-1-3-7-15/h1-4,6-9,12H,5,10-11,13-14H2,(H,21,22)