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

Systemtic Name: 2-[2-tert-butyl-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]ethanoate Openeye Name: 2-[2-tert-butyl-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate CAS Name: 2-[2-tert-butyl-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate IUPAC Name: 2-[2-tert-butyl-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate Traditional Name: 2-[2-tert-butyl-6-(cyanomethyl)-2-phenyl-1,3-dioxan-4-yl]acetate Formula: C18H22NO4- MolecularWeight: 316.37158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(OC(CC(O1)CC(=O)[O-])CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1(OC(CC(O1)CC(=O)[O-])CC#N)C2=CC=CC=C2

InChI

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