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

Systemtic Name: 1-propyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-propyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-propyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-propyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-propyl-4-[4-[4-(5-propyl-1,3-dioxan-2-yl)phenyl]phenyl]cyclohexanecarbonitrile Formula: C29H37NO2 MolecularWeight: 431.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

Isomeric SMILES

CCCC1COC(OC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)(CCC)C#N

InChI

InChI=1S/C29H37NO2/c1-3-5-22-19-31-28(32-20-22)27-12-10-24(11-13-27)23-6-8-25(9-7-23)26-14-17-29(21-30,16-4-2)18-15-26/h6-13,22,26,28H,3-5,14-20H2,1-2H3