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

Systemtic Name: 3-[4-(3-fluoranyl-4-methyl-phenyl)carbonylpiperazin-1-yl]propanoic acid Openeye Name: 3-[4-(3-fluoro-4-methyl-benzoyl)piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(3-fluoro-4-methylphenyl)-oxomethyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(3-fluoro-4-methyl-benzoyl)piperazino]propionic acid Formula: C15H19FN2O3 MolecularWeight: 294.321363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CCC(=O)O)F

InChI

InChI=1S/C15H19FN2O3/c1-11-2-3-12(10-13(11)16)15(21)18-8-6-17(7-9-18)5-4-14(19)20/h2-3,10H,4-9H2,1H3,(H,19,20)