2-[(4R,5R)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-1,3-dioxan-5-yl]ethanenitrile

Systemtic Name: 2-[(4R,5R)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-1,3-dioxan-5-yl]ethanenitrile Openeye Name: 2-[(4R,5R)-4-(2-benzyloxyethyl)-2,2-dimethyl-1,3-dioxan-5-yl]acetonitrile CAS Name: 2-[(4R,5R)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-1,3-dioxan-5-yl]acetonitrile IUPAC Name: 2-[(4R,5R)-2,2-dimethyl-4-(2-phenylmethoxyethyl)-1,3-dioxan-5-yl]acetonitrile Traditional Name: 2-[(4R,5R)-4-(2-benzoxyethyl)-2,2-dimethyl-1,3-dioxan-5-yl]acetonitrile Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)CCOCC2=CC=CC=C2)CC#N)C

Isomeric SMILES

CC1(OC[C@H]([C@H](O1)CCOCC2=CC=CC=C2)CC#N)C

InChI

InChI=1S/C17H23NO3/c1-17(2)20-13-15(8-10-18)16(21-17)9-11-19-12-14-6-4-3-5-7-14/h3-7,15-16H,8-9,11-13H2,1-2H3/t15-,16-/m1/s1