2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidyl]-2,2-diphenyl-acetonitrile CAS Name: 2-[(3R)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-piperidinyl]-2,2-diphenylacetonitrile IUPAC Name: 2-[(3R)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-2,2-diphenylacetonitrile Traditional Name: 2-[(3R)-1-(2-coumaran-5-ylethyl)-3-piperidyl]-2,2-diphenyl-acetonitrile Formula: C29H30N2O MolecularWeight: 422.5613

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCC2=CC3=C(C=C2)OCC3)C(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CCC2=CC3=C(C=C2)OCC3)C(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N2O/c30-22-29(25-8-3-1-4-9-25,26-10-5-2-6-11-26)27-12-7-17-31(21-27)18-15-23-13-14-28-24(20-23)16-19-32-28/h1-6,8-11,13-14,20,27H,7,12,15-19,21H2/t27-/m0/s1