tert-butyl 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]ethanoate

Systemtic Name: tert-butyl 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]ethanoate Openeye Name: tert-butyl 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]acetate CAS Name: 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]acetate Traditional Name: 2-cyano-2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]acetic acid tert-butyl ester Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)N(C)C(C#N)C(=O)OC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4/c1-19(2,3)26-18(23)15(12-21)22(6)16-13-24-20(4,5)25-17(16)14-10-8-7-9-11-14/h7-11,15-17H,13H2,1-6H3/t15?,16-,17-/m0/s1