N-[(1S,2S)-1-(1,3-benzodioxol-5-yl)-1-cyano-4,4-dimethyl-pentan-2-yl]benzamide

Systemtic Name: N-[(1S,2S)-1-(1,3-benzodioxol-5-yl)-1-cyano-4,4-dimethyl-pentan-2-yl]benzamide Openeye Name: N-[(1S)-1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-3,3-dimethyl-butyl]benzamide CAS Name: N-[(1S,2S)-1-(1,3-benzodioxol-5-yl)-1-cyano-4,4-dimethylpentan-2-yl]benzamide IUPAC Name: N-[(1S,2S)-1-(1,3-benzodioxol-5-yl)-1-cyano-4,4-dimethylpentan-2-yl]benzamide Traditional Name: N-[(1S)-1-[(S)-1,3-benzodioxol-5-yl(cyano)methyl]-3,3-dimethyl-butyl]benzamide Formula: C22H24N2O3 MolecularWeight: 364.43756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C[C@@H]([C@@H](C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-22(2,3)12-18(24-21(25)15-7-5-4-6-8-15)17(13-23)16-9-10-19-20(11-16)27-14-26-19/h4-11,17-18H,12,14H2,1-3H3,(H,24,25)/t17-,18-/m0/s1