diethyl 2-(4-bromanyl-2-ethoxycarbonyl-1H-isoquinolin-1-yl)propanedioate

Systemtic Name: diethyl 2-(4-bromanyl-2-ethoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Openeye Name: diethyl 2-(4-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)propanedioate CAS Name: 2-(4-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-bromo-2-ethoxycarbonyl-1H-isoquinolin-1-yl)propanedioate Traditional Name: 2-(4-bromo-2-carbethoxy-1H-isoquinolin-1-yl)malonic acid diethyl ester Formula: C19H22BrNO6 MolecularWeight: 440.28508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2C(=CN1C(=O)OCC)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2C(=CN1C(=O)OCC)Br)C(=O)OCC

InChI

InChI=1S/C19H22BrNO6/c1-4-25-17(22)15(18(23)26-5-2)16-13-10-8-7-9-12(13)14(20)11-21(16)19(24)27-6-3/h7-11,15-16H,4-6H2,1-3H3