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

Systemtic Name: 4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-(4-pentylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[5-(4-amylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2COC(OC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H31NO2/c1-2-3-4-5-17-6-10-19(11-7-17)21-15-24-22(25-16-21)20-12-8-18(14-23)9-13-20/h8-9,12-13,17,19,21-22H,2-7,10-11,15-16H2,1H3