2-(3-bromanyl-1-adamantyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-bromo-1-adamantyl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-bromo-1-adamantyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-bromo-1-adamantyl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3-bromo-1-adamantyl)acetamide Formula: C21H24BrNO4 MolecularWeight: 434.32356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OCO2

InChI

InChI=1S/C21H24BrNO4/c1-12(24)15-3-17-18(27-11-26-17)4-16(15)23-19(25)9-20-5-13-2-14(6-20)8-21(22,7-13)10-20/h3-4,13-14H,2,5-11H2,1H3,(H,23,25)