2-(3-imidazol-1-ylpropanoylamino)benzoate

Systemtic Name: 2-(3-imidazol-1-ylpropanoylamino)benzoate Openeye Name: 2-(3-imidazol-1-ylpropanoylamino)benzoate CAS Name: 2-[[3-(1-imidazolyl)-1-oxopropyl]amino]benzoate IUPAC Name: 2-(3-imidazol-1-ylpropanoylamino)benzoate Traditional Name: 2-(3-imidazol-1-ylpropanoylamino)benzoate Formula: C13H12N3O3- MolecularWeight: 258.25268

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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)/p-1