(2S)-2-[(4-fluorophenyl)methylamino]pentanedioic acid

Systemtic Name: (2S)-2-[(4-fluorophenyl)methylamino]pentanedioic acid Openeye Name: (2S)-2-[(4-fluorophenyl)methylamino]pentanedioic acid CAS Name: (2S)-2-[(4-fluorophenyl)methylamino]pentanedioic acid IUPAC Name: (2S)-2-[(4-fluorophenyl)methylamino]pentanedioic acid Traditional Name: (2S)-2-[(4-fluorobenzyl)amino]glutaric acid Formula: C12H14FNO4 MolecularWeight: 255.242263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(CCC(=O)O)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1CN[C@@H](CCC(=O)O)C(=O)O)F

InChI

InChI=1S/C12H14FNO4/c13-9-3-1-8(2-4-9)7-14-10(12(17)18)5-6-11(15)16/h1-4,10,14H,5-7H2,(H,15,16)(H,17,18)/t10-/m0/s1