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

Systemtic Name: 2-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 2-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile CAS Name: 2-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 2-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Traditional Name: 2-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2COC(OC2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2COC(OC2)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H29NO2/c1-2-3-6-16-9-11-17(12-10-16)19-14-23-21(24-15-19)20-8-5-4-7-18(20)13-22/h4-5,7-8,16-17,19,21H,2-3,6,9-12,14-15H2,1H3