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

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-bromanylphenoxy)propanoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate CAS Name: 2-(4-bromophenoxy)propanoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(4-bromophenoxy)propanoate Traditional Name: 2-(4-bromophenoxy)propionic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H23BrN2O4 MolecularWeight: 447.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OCC(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-16(28-19-9-7-17(22)8-10-19)21(26)27-15-20(25)24-13-11-23(12-14-24)18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3