[(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] ethanoate

Systemtic Name: [(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] ethanoate Openeye Name: [(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] acetate CAS Name: acetic acid [(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] ester IUPAC Name: [(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] acetate Traditional Name: acetic acid [(1R,2S,4R,5R)-2-cyano-5-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]heptan-2-yl] ester Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1(CC2C(CC1O2)C3=CC=C(C=C3)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO4/c1-10(18)21-16(9-17)8-14-13(7-15(16)20-14)11-3-5-12(19-2)6-4-11/h3-6,13-15H,7-8H2,1-2H3/t13-,14-,15-,16+/m1/s1