methyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[1-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-isoquinolyl]oxy]acetate CAS Name: 2-[[1-oxo-2-[2-oxo-2-(phenethylamino)ethyl]-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-2-[2-oxo-2-(phenethylamino)ethyl]isoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(phenethylamino)ethyl]-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O5/c1-28-21(26)15-29-19-9-5-8-18-17(19)11-13-24(22(18)27)14-20(25)23-12-10-16-6-3-2-4-7-16/h2-9,11,13H,10,12,14-15H2,1H3,(H,23,25)