2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)ethanenitrile

Systemtic Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)ethanenitrile Openeye Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)acetonitrile CAS Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-(4-methoxyphenyl)acetonitrile IUPAC Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-(4-methoxyphenyl)acetonitrile Traditional Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-(4-methoxyphenyl)acetonitrile Formula: C22H26N2O3 MolecularWeight: 366.45344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)N(C)C(C#N)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H26N2O3/c1-22(2)26-15-20(21(27-22)17-8-6-5-7-9-17)24(3)19(14-23)16-10-12-18(25-4)13-11-16/h5-13,19-21H,15H2,1-4H3/t19?,20-,21-/m0/s1