N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxidanyl-1-adamantyl)ethanamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxidanyl-1-adamantyl)ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(3-hydroxy-1-adamantyl)acetamide Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-13(16-2-3-17-18(5-16)26-12-25-17)22-19(23)10-20-6-14-4-15(7-20)9-21(24,8-14)11-20/h2-3,5,13-15,24H,4,6-12H2,1H3,(H,22,23)