2-(1H-imidazol-5-ylmethyl)-3-phenyl-propanoic acid

Systemtic Name: 2-(1H-imidazol-5-ylmethyl)-3-phenyl-propanoic acid Openeye Name: 2-benzyl-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-(1H-imidazol-5-ylmethyl)-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-benzyl-3-(1H-imidazol-5-yl)propionic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H14N2O2/c16-13(17)11(7-12-8-14-9-15-12)6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,14,15)(H,16,17)