(2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)pentanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-(3-oxidanylidene-1H-isoindol-2-yl)pentanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-(1-oxoisoindolin-2-yl)pentanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-2-(1-ketoisoindolin-2-yl)-3-methyl-valeramide Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N2O4/c1-3-13(2)19(23-11-14-6-4-5-7-16(14)21(23)25)20(24)22-15-8-9-17-18(10-15)27-12-26-17/h4-10,13,19H,3,11-12H2,1-2H3,(H,22,24)/t13?,19-/m0/s1