diethyl 2-(1-ethoxy-2-isoquinolin-1-yl-ethyl)propanedioate

Systemtic Name: diethyl 2-(1-ethoxy-2-isoquinolin-1-yl-ethyl)propanedioate Openeye Name: diethyl 2-[1-ethoxy-2-(1-isoquinolyl)ethyl]propanedioate CAS Name: 2-[1-ethoxy-2-(1-isoquinolinyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-ethoxy-2-isoquinolin-1-ylethyl)propanedioate Traditional Name: 2-[1-ethoxy-2-(1-isoquinolyl)ethyl]malonic acid diethyl ester Formula: C20H25NO5 MolecularWeight: 359.4162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=NC=CC2=CC=CC=C21)C(C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCOC(CC1=NC=CC2=CC=CC=C21)C(C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C20H25NO5/c1-4-24-17(18(19(22)25-5-2)20(23)26-6-3)13-16-15-10-8-7-9-14(15)11-12-21-16/h7-12,17-18H,4-6,13H2,1-3H3