2-[4-[3-(3-bromophenyl)propanoyl]piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[3-(3-bromophenyl)propanoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(3-bromophenyl)propanoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(3-bromophenyl)-1-oxopropyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(3-bromophenyl)propanoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(3-bromophenyl)propanoyl]piperazino]acetic acid Formula: C15H19BrN2O3 MolecularWeight: 355.22696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)CCC2=CC(=CC=C2)Br

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)CCC2=CC(=CC=C2)Br

InChI

InChI=1S/C15H19BrN2O3/c16-13-3-1-2-12(10-13)4-5-14(19)18-8-6-17(7-9-18)11-15(20)21/h1-3,10H,4-9,11H2,(H,20,21)