2-[[(2R,4S,5S)-1-methyl-4-phenylmethoxy-5-(phenylmethyl)pyrrolidin-2-yl]methyl]nonanenitrile

Systemtic Name: 2-[[(2R,4S,5S)-1-methyl-4-phenylmethoxy-5-(phenylmethyl)pyrrolidin-2-yl]methyl]nonanenitrile Openeye Name: 2-[[(2R,4S,5S)-5-benzyl-4-benzyloxy-1-methyl-pyrrolidin-2-yl]methyl]nonanenitrile CAS Name: 2-[[(2R,4S,5S)-1-methyl-4-phenylmethoxy-5-(phenylmethyl)-2-pyrrolidinyl]methyl]nonanenitrile IUPAC Name: 2-[[(2R,4S,5S)-5-benzyl-1-methyl-4-phenylmethoxypyrrolidin-2-yl]methyl]nonanenitrile Traditional Name: 2-[[(2R,4S,5S)-4-benzoxy-5-benzyl-1-methyl-pyrrolidin-2-yl]methyl]pelargononitrile Formula: C29H40N2O MolecularWeight: 432.6407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CC1CC(C(N1C)CC2=CC=CC=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCCC(C[C@@H]1C[C@@H]([C@@H](N1C)CC2=CC=CC=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C29H40N2O/c1-3-4-5-6-9-18-26(22-30)19-27-21-29(32-23-25-16-12-8-13-17-25)28(31(27)2)20-24-14-10-7-11-15-24/h7-8,10-17,26-29H,3-6,9,18-21,23H2,1-2H3/t26?,27-,28+,29+/m1/s1