[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-bromanylphenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-bromanylphenoxy)ethanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-bromophenoxy)acetate CAS Name: 2-(3-bromophenoxy)acetic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-bromophenoxy)acetate Traditional Name: 2-(3-bromophenoxy)acetic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)COC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)COC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrN2O4/c21-16-5-4-8-18(13-16)26-15-20(25)27-14-19(24)23-11-9-22(10-12-23)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2