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

Systemtic Name: 2-[6-(cyanomethyl)-2,2-dimethyl-4-propan-2-yl-1,3-dioxan-4-yl]ethanoic acid Openeye Name: 2-[6-(cyanomethyl)-4-isopropyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid CAS Name: 2-[6-(cyanomethyl)-2,2-dimethyl-4-propan-2-yl-1,3-dioxan-4-yl]acetic acid IUPAC Name: 2-[6-(cyanomethyl)-2,2-dimethyl-4-propan-2-yl-1,3-dioxan-4-yl]acetic acid Traditional Name: 2-[6-(cyanomethyl)-4-isopropyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(OC(O1)(C)C)CC#N)CC(=O)O

Isomeric SMILES

CC(C)C1(CC(OC(O1)(C)C)CC#N)CC(=O)O

InChI

InChI=1S/C13H21NO4/c1-9(2)13(8-11(15)16)7-10(5-6-14)17-12(3,4)18-13/h9-10H,5,7-8H2,1-4H3,(H,15,16)