2-pentyl-5-(5-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile

Systemtic Name: 2-pentyl-5-(5-pentyl-1,3-dioxan-2-yl)benzenecarbonitrile Openeye Name: 2-pentyl-5-(5-pentyl-1,3-dioxan-2-yl)benzonitrile CAS Name: 2-pentyl-5-(5-pentyl-1,3-dioxan-2-yl)benzonitrile IUPAC Name: 2-pentyl-5-(5-pentyl-1,3-dioxan-2-yl)benzonitrile Traditional Name: 2-amyl-5-(5-amyl-1,3-dioxan-2-yl)benzonitrile Formula: C21H31NO2 MolecularWeight: 329.47634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C2=CC(=C(C=C2)CCCCC)C#N

Isomeric SMILES

CCCCCC1COC(OC1)C2=CC(=C(C=C2)CCCCC)C#N

InChI

InChI=1S/C21H31NO2/c1-3-5-7-9-17-15-23-21(24-16-17)19-12-11-18(10-8-6-4-2)20(13-19)14-22/h11-13,17,21H,3-10,15-16H2,1-2H3