N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[1-methyl-6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(6,7-dihydroxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide Formula: C21H22N2O6 MolecularWeight: 398.40918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)O)O

Isomeric SMILES

CC1C2=CC(=C(C=C2CCN1CC(=O)NC3=CC4=C(C=C3C(=O)C)OCO4)O)O

InChI

InChI=1S/C21H22N2O6/c1-11-14-6-18(26)17(25)5-13(14)3-4-23(11)9-21(27)22-16-8-20-19(28-10-29-20)7-15(16)12(2)24/h5-8,11,25-26H,3-4,9-10H2,1-2H3,(H,22,27)