4-[2-(3-imidazol-1-ylpropanoylamino)ethyl]benzoic acid

Systemtic Name: 4-[2-(3-imidazol-1-ylpropanoylamino)ethyl]benzoic acid Openeye Name: 4-[2-(3-imidazol-1-ylpropanoylamino)ethyl]benzoic acid CAS Name: 4-[2-[[3-(1-imidazolyl)-1-oxopropyl]amino]ethyl]benzoic acid IUPAC Name: 4-[2-(3-imidazol-1-ylpropanoylamino)ethyl]benzoic acid Traditional Name: 4-[2-(3-imidazol-1-ylpropanoylamino)ethyl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCN2C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCN2C=CN=C2)C(=O)O

InChI

InChI=1S/C15H17N3O3/c19-14(6-9-18-10-8-16-11-18)17-7-5-12-1-3-13(4-2-12)15(20)21/h1-4,8,10-11H,5-7,9H2,(H,17,19)(H,20,21)