2-[(4-bromophenyl)methyl]-3-imidazol-1-yl-propanoic acid

Systemtic Name: 2-[(4-bromophenyl)methyl]-3-imidazol-1-yl-propanoic acid Openeye Name: 2-[(4-bromophenyl)methyl]-3-imidazol-1-yl-propanoic acid CAS Name: 2-[(4-bromophenyl)methyl]-3-(1-imidazolyl)propanoic acid IUPAC Name: 2-[(4-bromophenyl)methyl]-3-imidazol-1-ylpropanoic acid Traditional Name: 2-(4-bromobenzyl)-3-imidazol-1-yl-propionic acid Formula: C13H13BrN2O2 MolecularWeight: 309.15852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CN2C=CN=C2)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CC(CN2C=CN=C2)C(=O)O)Br

InChI

InChI=1S/C13H13BrN2O2/c14-12-3-1-10(2-4-12)7-11(13(17)18)8-16-6-5-15-9-16/h1-6,9,11H,7-8H2,(H,17,18)