(2S)-1-[(2S,5R)-5-(phenoxymethyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S,5R)-5-(phenoxymethyl)pyrrolidin-2-yl]carbonylpyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S,5R)-5-(phenoxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[oxo-[(2S,5R)-5-(phenoxymethyl)-2-pyrrolidinyl]methyl]-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S,5R)-5-(phenoxymethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S,5R)-5-(phenoxymethyl)prolyl]pyrrolidine-2-carbonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCC(N2)COC3=CC=CC=C3)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@@H]2CC[C@@H](N2)COC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H21N3O2/c18-11-14-5-4-10-20(14)17(21)16-9-8-13(19-16)12-22-15-6-2-1-3-7-15/h1-3,6-7,13-14,16,19H,4-5,8-10,12H2/t13-,14+,16+/m1/s1