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

Systemtic Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O7/c1-2-29-22(27)13-30-18-5-3-4-17-16(18)8-9-25(23(17)28)12-21(26)24-11-15-6-7-19-20(10-15)32-14-31-19/h3-10H,2,11-14H2,1H3,(H,24,26)