4-[(2S)-3-imidazol-1-yl-2-oxidanyl-propoxy]benzoate

Systemtic Name: 4-[(2S)-3-imidazol-1-yl-2-oxidanyl-propoxy]benzoate Openeye Name: 4-[(2S)-2-hydroxy-3-imidazol-1-yl-propoxy]benzoate CAS Name: 4-[(2S)-2-hydroxy-3-(1-imidazolyl)propoxy]benzoate IUPAC Name: 4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoate Traditional Name: 4-[(2S)-2-hydroxy-3-imidazol-1-yl-propoxy]benzoate Formula: C13H13N2O4- MolecularWeight: 261.25332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])OCC(CN2C=CN=C2)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])OC[C@H](CN2C=CN=C2)O

InChI

InChI=1S/C13H14N2O4/c16-11(7-15-6-5-14-9-15)8-19-12-3-1-10(2-4-12)13(17)18/h1-6,9,11,16H,7-8H2,(H,17,18)/p-1/t11-/m0/s1