tert-butyl 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]ethanoate

Systemtic Name: tert-butyl 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]ethanoate Openeye Name: tert-butyl 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(2R,4S,6S)-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CC(OC(O1)C2=CC=CC=C2)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)C[C@@H]1C[C@@H](O[C@H](O1)C2=CC=CC=C2)CC#N

InChI

InChI=1S/C18H23NO4/c1-18(2,3)23-16(20)12-15-11-14(9-10-19)21-17(22-15)13-7-5-4-6-8-13/h4-8,14-15,17H,9,11-12H2,1-3H3/t14-,15-,17+/m0/s1