2-[3-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[3-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[3-[4-(4-bromobenzoyl)piperazin-1-yl]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[3-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[3-[4-(4-bromobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[3-[4-(4-bromobenzoyl)piperazino]phenoxy]-2-methyl-propionic acid Formula: C21H23BrN2O4 MolecularWeight: 447.32232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN2O4/c1-21(2,20(26)27)28-18-5-3-4-17(14-18)23-10-12-24(13-11-23)19(25)15-6-8-16(22)9-7-15/h3-9,14H,10-13H2,1-2H3,(H,26,27)