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

Systemtic Name: 3-(4-fluoranyl-2-methyl-phenyl)-2-methyl-piperazine-1-carboxylic acid Openeye Name: 3-(4-fluoro-2-methyl-phenyl)-2-methyl-piperazine-1-carboxylic acid CAS Name: 3-(4-fluoro-2-methylphenyl)-2-methyl-1-piperazinecarboxylic acid IUPAC Name: 3-(4-fluoro-2-methylphenyl)-2-methylpiperazine-1-carboxylic acid Traditional Name: 3-(4-fluoro-2-methyl-phenyl)-2-methyl-piperazine-1-carboxylic acid Formula: C13H17FN2O2 MolecularWeight: 252.284683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(NCCN1C(=O)O)C2=C(C=C(C=C2)F)C

Isomeric SMILES

CC1C(NCCN1C(=O)O)C2=C(C=C(C=C2)F)C

InChI

InChI=1S/C13H17FN2O2/c1-8-7-10(14)3-4-11(8)12-9(2)16(13(17)18)6-5-15-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,17,18)