4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile

Systemtic Name: 4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile Openeye Name: 4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile CAS Name: 4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile IUPAC Name: 4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butanenitrile Traditional Name: 4-[2-[(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)methyl]phenyl]butyronitrile Formula: C23H27NO2 MolecularWeight: 349.46598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)CC3=CC=CC=C3CCCC#N)C

Isomeric SMILES

CC1(OCC(C(O1)C2=CC=CC=C2)CC3=CC=CC=C3CCCC#N)C

InChI

InChI=1S/C23H27NO2/c1-23(2)25-17-21(22(26-23)19-12-4-3-5-13-19)16-20-14-7-6-10-18(20)11-8-9-15-24/h3-7,10,12-14,21-22H,8-9,11,16-17H2,1-2H3