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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C(=O)[O-]

InChI

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