3-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(3-bromo-4-fluorophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-bromo-4-fluoro-benzyl)piperazino]propionic acid Formula: C14H18BrFN2O2 MolecularWeight: 345.207323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H18BrFN2O2/c15-12-9-11(1-2-13(12)16)10-18-7-5-17(6-8-18)4-3-14(19)20/h1-2,9H,3-8,10H2,(H,19,20)