[(2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-5-oxidanylidene-oxolan-2-yl]methyl benzoate

Systemtic Name: [(2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-5-oxidanylidene-oxolan-2-yl]methyl benzoate Openeye Name: [(2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate CAS Name: benzoic acid [(2S,3S)-3-(3,5-dimethyl-1-pyrazolyl)-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-5-oxooxolan-2-yl]methyl benzoate Traditional Name: benzoic acid [(2S,3S)-3-(3,5-dimethylpyrazol-1-yl)-5-keto-tetrahydrofuran-2-yl]methyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CC(=O)OC2COC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NN1[C@H]2CC(=O)O[C@@H]2COC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C17H18N2O4/c1-11-8-12(2)19(18-11)14-9-16(20)23-15(14)10-22-17(21)13-6-4-3-5-7-13/h3-8,14-15H,9-10H2,1-2H3/t14-,15+/m0/s1