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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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