methyl 3-(1H-imidazol-5-ylmethyl)-2-oxidanyl-benzoate

Systemtic Name: methyl 3-(1H-imidazol-5-ylmethyl)-2-oxidanyl-benzoate Openeye Name: methyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate CAS Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate Traditional Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid methyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)CC2=CN=CN2)O

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)CC2=CN=CN2)O

InChI

InChI=1S/C12H12N2O3/c1-17-12(16)10-4-2-3-8(11(10)15)5-9-6-13-7-14-9/h2-4,6-7,15H,5H2,1H3,(H,13,14)