4-(2-imidazol-1-ylethylamino)benzoic acid

Systemtic Name: 4-(2-imidazol-1-ylethylamino)benzoic acid Openeye Name: 4-(2-imidazol-1-ylethylamino)benzoic acid CAS Name: 4-[2-(1-imidazolyl)ethylamino]benzoic acid IUPAC Name: 4-(2-imidazol-1-ylethylamino)benzoic acid Traditional Name: 4-(2-imidazol-1-ylethylamino)benzoic acid Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NCCN2C=CN=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NCCN2C=CN=C2

InChI

InChI=1S/C12H13N3O2/c16-12(17)10-1-3-11(4-2-10)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8H2,(H,16,17)