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

Systemtic Name: 3-[3-[4-(4-bromophenyl)carbonylpiperazin-1-yl]phenoxy]propanoic acid Openeye Name: 3-[3-[4-(4-bromobenzoyl)piperazin-1-yl]phenoxy]propanoic acid CAS Name: 3-[3-[4-[(4-bromophenyl)-oxomethyl]-1-piperazinyl]phenoxy]propanoic acid IUPAC Name: 3-[3-[4-(4-bromobenzoyl)piperazin-1-yl]phenoxy]propanoic acid Traditional Name: 3-[3-[4-(4-bromobenzoyl)piperazino]phenoxy]propionic acid Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)OCCC(=O)O)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)OCCC(=O)O)C(=O)C3=CC=C(C=C3)Br

InChI

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