[(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] ethanoate

Systemtic Name: [(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] ethanoate Openeye Name: [(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] acetate CAS Name: acetic acid [(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] ester IUPAC Name: [(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] acetate Traditional Name: acetic acid [(1S,3S,4R,5S)-3-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-3-yl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC2CC(C1O2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

CC(=O)O[C@@]1(C[C@@H]2C[C@H]([C@H]1O2)C3=CC=C(C=C3)OC)C#N

InChI

InChI=1S/C16H17NO4/c1-10(18)21-16(9-17)8-13-7-14(15(16)20-13)11-3-5-12(19-2)6-4-11/h3-6,13-15H,7-8H2,1-2H3/t13-,14-,15+,16-/m0/s1