1-[[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]methyl]cycloheptane-1-carbonitrile

Systemtic Name: 1-[[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]methyl]cycloheptane-1-carbonitrile Openeye Name: 1-[[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]methyl]cycloheptanecarbonitrile CAS Name: 1-[[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]methyl]-1-cycloheptanecarbonitrile IUPAC Name: 1-[[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]methyl]cycloheptane-1-carbonitrile Traditional Name: 1-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)benzyl]cycloheptanecarbonitrile Formula: C22H31NO2 MolecularWeight: 341.48704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)(C)C2=CC=C(C=C2)CC3(CCCCCC3)C#N)C

Isomeric SMILES

CC1(COC(OC1)(C)C2=CC=C(C=C2)CC3(CCCCCC3)C#N)C

InChI

InChI=1S/C22H31NO2/c1-20(2)16-24-21(3,25-17-20)19-10-8-18(9-11-19)14-22(15-23)12-6-4-5-7-13-22/h8-11H,4-7,12-14,16-17H2,1-3H3