[(1R,2S)-2-cyanocyclohexyl] 4-phenylmethoxybutanoate

Systemtic Name: [(1R,2S)-2-cyanocyclohexyl] 4-phenylmethoxybutanoate Openeye Name: [(1R,2S)-2-cyanocyclohexyl] 4-benzyloxybutanoate CAS Name: 4-phenylmethoxybutanoic acid [(1R,2S)-2-cyanocyclohexyl] ester IUPAC Name: [(1R,2S)-2-cyanocyclohexyl] 4-phenylmethoxybutanoate Traditional Name: 4-benzoxybutyric acid [(1R,2S)-2-cyanocyclohexyl] ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#N)OC(=O)CCCOCC2=CC=CC=C2

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C#N)OC(=O)CCCOCC2=CC=CC=C2

InChI

InChI=1S/C18H23NO3/c19-13-16-9-4-5-10-17(16)22-18(20)11-6-12-21-14-15-7-2-1-3-8-15/h1-3,7-8,16-17H,4-6,9-12,14H2/t16-,17+/m0/s1