2-[4-tert-butyl-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23NO4/c1-12(2,3)14(9-11(16)17)8-10(6-7-15)18-13(4,5)19-14/h10H,6,8-9H2,1-5H3,(H,16,17)