2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-(1H-imidazol-5-yl)ethylcarbamoyl]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=CN=CN2)C(=O)O

InChI

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