ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]isoquinolin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl]isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[1-oxo-2-[2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[1-oxo-2-[2-oxo-2-(2-oxolanylmethylamino)ethyl]-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[1-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]isoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[1-keto-2-[2-keto-2-(tetrahydrofurfurylamino)ethyl]-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3CCCO3

InChI

InChI=1S/C21H26N2O6/c1-3-27-21(26)14(2)29-18-8-4-7-17-16(18)9-10-23(20(17)25)13-19(24)22-12-15-6-5-11-28-15/h4,7-10,14-15H,3,5-6,11-13H2,1-2H3,(H,22,24)