2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-2-phenoxy-propanoic acid

Systemtic Name: 2-[4-(4-bromophenyl)carbonylpiperazin-1-yl]-2-phenoxy-propanoic acid Openeye Name: 2-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenoxy-propanoic acid CAS Name: 2-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]-2-phenoxypropanoic acid IUPAC Name: 2-[4-(4-bromobenzoyl)piperazin-1-yl]-2-phenoxypropanoic acid Traditional Name: 2-[4-(4-bromobenzoyl)piperazino]-2-phenoxy-propionic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O4/c1-20(19(25)26,27-17-5-3-2-4-6-17)23-13-11-22(12-14-23)18(24)15-7-9-16(21)10-8-15/h2-10H,11-14H2,1H3,(H,25,26)