3-[(2-methylimidazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(2-methylimidazol-1-yl)methyl]benzoate Openeye Name: 3-[(2-methylimidazol-1-yl)methyl]benzoate CAS Name: 3-[(2-methyl-1-imidazolyl)methyl]benzoate IUPAC Name: 3-[(2-methylimidazol-1-yl)methyl]benzoate Traditional Name: 3-[(2-methylimidazol-1-yl)methyl]benzoate Formula: C12H11N2O2- MolecularWeight: 215.22794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=NC=CN1CC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C12H12N2O2/c1-9-13-5-6-14(9)8-10-3-2-4-11(7-10)12(15)16/h2-7H,8H2,1H3,(H,15,16)/p-1