3-(4-fluoranyl-3-methyl-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 3-(4-fluoranyl-3-methyl-phenyl)piperazine-1-carboxylic acid Openeye Name: 3-(4-fluoro-3-methyl-phenyl)piperazine-1-carboxylic acid CAS Name: 3-(4-fluoro-3-methylphenyl)-1-piperazinecarboxylic acid IUPAC Name: 3-(4-fluoro-3-methylphenyl)piperazine-1-carboxylic acid Traditional Name: 3-(4-fluoro-3-methyl-phenyl)piperazine-1-carboxylic acid Formula: C12H15FN2O2 MolecularWeight: 238.258103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CN(CCN2)C(=O)O)F

Isomeric SMILES

CC1=C(C=CC(=C1)C2CN(CCN2)C(=O)O)F

InChI

InChI=1S/C12H15FN2O2/c1-8-6-9(2-3-10(8)13)11-7-15(12(16)17)5-4-14-11/h2-3,6,11,14H,4-5,7H2,1H3,(H,16,17)