4-[(2-methylimidazol-1-yl)methyl]benzoic acid

Systemtic Name: 4-[(2-methylimidazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(2-methylimidazol-1-yl)methyl]benzoic acid CAS Name: 4-[(2-methyl-1-imidazolyl)methyl]benzoic acid IUPAC Name: 4-[(2-methylimidazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(2-methylimidazol-1-yl)methyl]benzoic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC=CN1CC2=CC=C(C=C2)C(=O)O

InChI

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