3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid

Systemtic Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid Openeye Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid CAS Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methylbenzoic acid IUPAC Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methylbenzoic acid Traditional Name: 3-[1-(1H-imidazol-5-yl)ethyl]-2-methyl-benzoic acid Formula: C13H14N2O2 MolecularWeight: 230.26246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(C)C2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1C(C)C2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-8-10(4-3-5-11(8)13(16)17)9(2)12-6-14-7-15-12/h3-7,9H,1-2H3,(H,14,15)(H,16,17)