5-fluoranyl-2-(3-imidazol-1-ylpropanoylamino)benzoic acid

Systemtic Name: 5-fluoranyl-2-(3-imidazol-1-ylpropanoylamino)benzoic acid Openeye Name: 5-fluoro-2-(3-imidazol-1-ylpropanoylamino)benzoic acid CAS Name: 5-fluoro-2-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-fluoro-2-(3-imidazol-1-ylpropanoylamino)benzoic acid Traditional Name: 5-fluoro-2-(3-imidazol-1-ylpropanoylamino)benzoic acid Formula: C13H12FN3O3 MolecularWeight: 277.251083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1F)C(=O)O)NC(=O)CCN2C=CN=C2

Isomeric SMILES

C1=CC(=C(C=C1F)C(=O)O)NC(=O)CCN2C=CN=C2

InChI

InChI=1S/C13H12FN3O3/c14-9-1-2-11(10(7-9)13(19)20)16-12(18)3-5-17-6-4-15-8-17/h1-2,4,6-8H,3,5H2,(H,16,18)(H,19,20)