(2S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-ethanoyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-acetyl-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-acetyl-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-acetyl-N-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-acetyl-N-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methyl]pyrrolidine-2-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3CCCN3C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)[C@@H]3CCCN3C(=O)C

InChI

InChI=1S/C21H25N3O3/c1-14-7-4-8-15(2)19(14)27-21-17(9-5-11-22-21)13-23-20(26)18-10-6-12-24(18)16(3)25/h4-5,7-9,11,18H,6,10,12-13H2,1-3H3,(H,23,26)/t18-/m0/s1