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

Systemtic Name: 4-[5-(5-heptyl-1,3-dioxan-2-yl)furan-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furyl]benzonitrile CAS Name: 4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furanyl]benzonitrile IUPAC Name: 4-[5-(5-heptyl-1,3-dioxan-2-yl)furan-2-yl]benzonitrile Traditional Name: 4-[5-(5-heptyl-1,3-dioxan-2-yl)-2-furyl]benzonitrile Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(O2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(O2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27NO3/c1-2-3-4-5-6-7-18-15-24-22(25-16-18)21-13-12-20(26-21)19-10-8-17(14-23)9-11-19/h8-13,18,22H,2-7,15-16H2,1H3