4-(4-fluoranyl-2-methyl-phenyl)piperazine-1,3-dicarboxylic acid

Systemtic Name: 4-(4-fluoranyl-2-methyl-phenyl)piperazine-1,3-dicarboxylic acid Openeye Name: 4-(4-fluoro-2-methyl-phenyl)piperazine-1,3-dicarboxylic acid CAS Name: 4-(4-fluoro-2-methylphenyl)piperazine-1,3-dicarboxylic acid IUPAC Name: 4-(4-fluoro-2-methylphenyl)piperazine-1,3-dicarboxylic acid Traditional Name: 4-(4-fluoro-2-methyl-phenyl)piperazine-1,3-dicarboxylic acid Formula: C13H15FN2O4 MolecularWeight: 282.267603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)N2CCN(CC2C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)F)N2CCN(CC2C(=O)O)C(=O)O

InChI

InChI=1S/C13H15FN2O4/c1-8-6-9(14)2-3-10(8)16-5-4-15(13(19)20)7-11(16)12(17)18/h2-3,6,11H,4-5,7H2,1H3,(H,17,18)(H,19,20)