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

Systemtic Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-phenyl-ethanenitrile Openeye Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-phenyl-acetonitrile CAS Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-phenylacetonitrile IUPAC Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methylamino]-2-phenylacetonitrile Traditional Name: 2-[[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]-methyl-amino]-2-phenyl-acetonitrile Formula: C21H24N2O2 MolecularWeight: 336.42746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2/c1-21(2)24-15-19(20(25-21)17-12-8-5-9-13-17)23(3)18(14-22)16-10-6-4-7-11-16/h4-13,18-20H,15H2,1-3H3/t18?,19-,20-/m0/s1