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

Systemtic Name: 1-methyl-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]cycloheptane-1-carbonitrile Openeye Name: 1-methyl-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]cycloheptanecarbonitrile CAS Name: 1-methyl-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]-1-cycloheptanecarbonitrile IUPAC Name: 1-methyl-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]cycloheptane-1-carbonitrile Traditional Name: 1-methyl-2-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]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)C3CCCCCC3(C)C#N)C

Isomeric SMILES

CC1(COC(OC1)(C)C2=CC=C(C=C2)C3CCCCCC3(C)C#N)C

InChI

InChI=1S/C22H31NO2/c1-20(2)15-24-22(4,25-16-20)18-11-9-17(10-12-18)19-8-6-5-7-13-21(19,3)14-23/h9-12,19H,5-8,13,15-16H2,1-4H3