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

Systemtic Name: 2-(3-imidazol-1-ylpropanoylamino)benzoic acid Openeye Name: 2-(3-imidazol-1-ylpropanoylamino)benzoic acid CAS Name: 2-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-(3-imidazol-1-ylpropanoylamino)benzoic acid Traditional Name: 2-(3-imidazol-1-ylpropanoylamino)benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3/c17-12(5-7-16-8-6-14-9-16)15-11-4-2-1-3-10(11)13(18)19/h1-4,6,8-9H,5,7H2,(H,15,17)(H,18,19)