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

Systemtic Name: 4-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile CAS Name: 4-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile IUPAC Name: 4-[5-(4-butylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile Traditional Name: 4-[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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO2/c1-2-3-4-16-5-9-18(10-6-16)20-14-23-21(24-15-20)19-11-7-17(13-22)8-12-19/h7-8,11-12,16,18,20-21H,2-6,9-10,14-15H2,1H3