4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propyl-cyclohexanecarbonitrile CAS Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-heptyl-1,3-dioxan-2-yl)phenyl]-1-propyl-cyclohexanecarbonitrile Formula: C27H41NO2 MolecularWeight: 411.61994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCC)C#N

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3CCC(CC3)(CCC)C#N

InChI

InChI=1S/C27H41NO2/c1-3-5-6-7-8-9-22-19-29-26(30-20-22)25-12-10-23(11-13-25)24-14-17-27(21-28,16-4-2)18-15-24/h10-13,22,24,26H,3-9,14-20H2,1-2H3