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

Systemtic Name: tert-butyl 2-[(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate Openeye Name: tert-butyl 2-[(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[(4S,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester Formula: C14H23NO4 MolecularWeight: 269.33672

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11+/m1/s1