4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzenecarbonitrile Openeye Name: 4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzonitrile CAS Name: 4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzonitrile IUPAC Name: 4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzonitrile Traditional Name: 4-[4-[(E)-4-(1,3-dioxan-2-yl)but-2-enyl]cyclohexyl]benzonitrile Formula: C21H27NO2 MolecularWeight: 325.44458

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CC=CCC2CCC(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COC(OC1)C/C=C/CC2CCC(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H27NO2/c22-16-18-8-12-20(13-9-18)19-10-6-17(7-11-19)4-1-2-5-21-23-14-3-15-24-21/h1-2,8-9,12-13,17,19,21H,3-7,10-11,14-15H2/b2-1+