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

Systemtic Name: ethyl 3-(1H-imidazol-5-ylmethyl)-2-oxidanyl-benzoate Openeye Name: ethyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate CAS Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoate Traditional Name: 2-hydroxy-3-(1H-imidazol-5-ylmethyl)benzoic acid ethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-2-18-13(17)11-5-3-4-9(12(11)16)6-10-7-14-8-15-10/h3-5,7-8,16H,2,6H2,1H3,(H,14,15)