3-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-bromo-5-fluoro-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-bromo-5-fluorophenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-bromo-5-fluoro-benzoyl)piperazino]propionic acid Formula: C14H16BrFN2O3 MolecularWeight: 359.190843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16BrFN2O3/c15-11-7-10(8-12(16)9-11)14(21)18-5-3-17(4-6-18)2-1-13(19)20/h7-9H,1-6H2,(H,19,20)