3-(1H-imidazol-5-ylmethyl)-2-methyl-benzoic acid

Systemtic Name: 3-(1H-imidazol-5-ylmethyl)-2-methyl-benzoic acid Openeye Name: 3-(1H-imidazol-5-ylmethyl)-2-methyl-benzoic acid CAS Name: 3-(1H-imidazol-5-ylmethyl)-2-methylbenzoic acid IUPAC Name: 3-(1H-imidazol-5-ylmethyl)-2-methylbenzoic acid Traditional Name: 3-(1H-imidazol-5-ylmethyl)-2-methyl-benzoic acid Formula: C12H12N2O2 MolecularWeight: 216.23588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1CC2=CN=CN2)C(=O)O

InChI

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