[(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)-2-oxidanyl-propyl] benzoate

Systemtic Name: [(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)-2-oxidanyl-propyl] benzoate Openeye Name: [(1S,2S)-1-(4,5-dihydroisoxazol-3-yl)-2-hydroxy-propyl] benzoate CAS Name: benzoic acid [(1S,2S)-1-(4,5-dihydroisoxazol-3-yl)-2-hydroxypropyl] ester IUPAC Name: [(1S,2S)-1-(4,5-dihydro-1,2-oxazol-3-yl)-2-hydroxypropyl] benzoate Traditional Name: benzoic acid [(1S,2S)-2-hydroxy-1-(2-isoxazolin-3-yl)propyl] ester Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NOCC1)OC(=O)C2=CC=CC=C2)O

Isomeric SMILES

C[C@@H]([C@H](C1=NOCC1)OC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H15NO4/c1-9(15)12(11-7-8-17-14-11)18-13(16)10-5-3-2-4-6-10/h2-6,9,12,15H,7-8H2,1H3/t9-,12+/m0/s1