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

Systemtic Name: 2-[4-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]ethanoic acid Openeye Name: 2-[4-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid CAS Name: 2-[4-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid IUPAC Name: 2-[4-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid Traditional Name: 2-[4-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid Formula: C10H15NO4 MolecularWeight: 213.2304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15NO4/c1-9(2)14-6-4-10(15-9,3-5-11)7-8(12)13/h3-4,6-7H2,1-2H3,(H,12,13)