2-(imidazol-1-ylmethyl)-3-phenyl-propanoate

Systemtic Name: 2-(imidazol-1-ylmethyl)-3-phenyl-propanoate Openeye Name: 2-benzyl-3-imidazol-1-yl-propanoate CAS Name: 2-(1-imidazolylmethyl)-3-phenylpropanoate IUPAC Name: 2-benzyl-3-imidazol-1-ylpropanoate Traditional Name: 2-benzyl-3-imidazol-1-yl-propionate Formula: C13H13N2O2- MolecularWeight: 229.25452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN2C=CN=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CN2C=CN=C2)C(=O)[O-]

InChI

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