methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(piperonylamino)ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C22H20N2O7 MolecularWeight: 424.4034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20N2O7/c1-28-21(26)12-29-17-4-2-3-16-15(17)7-8-24(22(16)27)11-20(25)23-10-14-5-6-18-19(9-14)31-13-30-18/h2-9H,10-13H2,1H3,(H,23,25)