[(2R,3S,6S)-6-cyano-3-(phenylcarbonyloxy)-3,6-dihydro-2H-pyran-2-yl]methyl benzoate

Systemtic Name: [(2R,3S,6S)-6-cyano-3-(phenylcarbonyloxy)-3,6-dihydro-2H-pyran-2-yl]methyl benzoate Openeye Name: [(2R,3S,6S)-3-benzoyloxy-6-cyano-3,6-dihydro-2H-pyran-2-yl]methyl benzoate CAS Name: benzoic acid [(2R,3S,6S)-3-benzoyloxy-6-cyano-3,6-dihydro-2H-pyran-2-yl]methyl ester IUPAC Name: [(2R,3S,6S)-3-benzoyloxy-6-cyano-3,6-dihydro-2H-pyran-2-yl]methyl benzoate Traditional Name: benzoic acid [(2R,3S,6S)-3-benzoyloxy-6-cyano-3,6-dihydro-2H-pyran-2-yl]methyl ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2C(C=CC(O2)C#N)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C=C[C@H](O2)C#N)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO5/c22-13-17-11-12-18(27-21(24)16-9-5-2-6-10-16)19(26-17)14-25-20(23)15-7-3-1-4-8-15/h1-12,17-19H,14H2/t17-,18-,19+/m0/s1