2-[carboxy-[2-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]hexanoic acid

Systemtic Name: 2-[carboxy-[2-[3-(phenylmethyl)imidazol-4-yl]ethyl]amino]hexanoic acid Openeye Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxy-amino]hexanoic acid CAS Name: 2-[carboxy-[2-[3-(phenylmethyl)-4-imidazolyl]ethyl]amino]hexanoic acid IUPAC Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxyamino]hexanoic acid Traditional Name: 2-[2-(3-benzylimidazol-4-yl)ethyl-carboxy-amino]hexanoic acid Formula: C19H25N3O4 MolecularWeight: 359.4195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N(CCC1=CN=CN1CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCC(C(=O)O)N(CCC1=CN=CN1CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H25N3O4/c1-2-3-9-17(18(23)24)22(19(25)26)11-10-16-12-20-14-21(16)13-15-7-5-4-6-8-15/h4-8,12,14,17H,2-3,9-11,13H2,1H3,(H,23,24)(H,25,26)