3-[4-methanoyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]furan-3-yl]propanenitrile

Systemtic Name: 3-[4-methanoyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]furan-3-yl]propanenitrile Openeye Name: 3-[4-formyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]-3-furyl]propanenitrile CAS Name: 3-[4-formyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]-3-furanyl]propanenitrile IUPAC Name: 3-[4-formyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]furan-3-yl]propanenitrile Traditional Name: 3-[4-formyl-2-[(2,5,5-trimethyl-1,3-dioxan-2-yl)methyl]-3-furyl]propionitrile Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C)CC2=C(C(=CO2)C=O)CCC#N)C

Isomeric SMILES

CC1(COC(OC1)(C)CC2=C(C(=CO2)C=O)CCC#N)C

InChI

InChI=1S/C16H21NO4/c1-15(2)10-20-16(3,21-11-15)7-14-13(5-4-6-17)12(8-18)9-19-14/h8-9H,4-5,7,10-11H2,1-3H3