4-[5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-[2-(5-pentyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-[2-(5-amyl-1,3-dioxan-2-yl)ethyl]-1,3-dioxan-2-yl]benzonitrile Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1COC(OC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H31NO4/c1-2-3-4-5-18-13-24-21(25-14-18)11-8-19-15-26-22(27-16-19)20-9-6-17(12-23)7-10-20/h6-7,9-10,18-19,21-22H,2-5,8,11,13-16H2,1H3