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

Systemtic Name: 1-butyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-butyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-butyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-butyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-butyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C30H39NO2 MolecularWeight: 445.63616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4OCC(CO4)CCC)C#N

Isomeric SMILES

CCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4OCC(CO4)CCC)C#N

InChI

InChI=1S/C30H39NO2/c1-3-5-17-30(22-31)18-15-27(16-19-30)26-9-7-24(8-10-26)25-11-13-28(14-12-25)29-32-20-23(6-4-2)21-33-29/h7-14,23,27,29H,3-6,15-21H2,1-2H3