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

Systemtic Name: 4-[5-[2-(1-hexan-3-ylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[2-[1-(1-ethylbutyl)cyclohexyl]ethyl]-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-[2-(1-hexan-3-ylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-[2-(1-hexan-3-ylcyclohexyl)ethyl]-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-[2-[1-(1-ethylbutyl)cyclohexyl]ethyl]-1,3-dioxan-2-yl]benzonitrile Formula: C25H37NO2 MolecularWeight: 383.56678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)C1(CCCCC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCC(CC)C1(CCCCC1)CCC2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H37NO2/c1-3-8-23(4-2)25(14-6-5-7-15-25)16-13-21-18-27-24(28-19-21)22-11-9-20(17-26)10-12-22/h9-12,21,23-24H,3-8,13-16,18-19H2,1-2H3