2-[[4-(chloromethyl)phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-(chloromethyl)phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-(chloromethyl)benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-(chloromethyl)phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-(chloromethyl)benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-(chloromethyl)benzoyl]amino]glutaric acid Formula: C13H14ClNO5 MolecularWeight: 299.70696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCl)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCl)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C13H14ClNO5/c14-7-8-1-3-9(4-2-8)12(18)15-10(13(19)20)5-6-11(16)17/h1-4,10H,5-7H2,(H,15,18)(H,16,17)(H,19,20)