diethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedioate

Systemtic Name: diethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedioate Openeye Name: diethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)propanedioate CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylidene)propanedioate Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylmethylene)malonic acid diethyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CN1CCC2=CC=CC=C2C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CN1CCC2=CC=CC=C2C1)C(=O)OCC

InChI

InChI=1S/C17H21NO4/c1-3-21-16(19)15(17(20)22-4-2)12-18-10-9-13-7-5-6-8-14(13)11-18/h5-8,12H,3-4,9-11H2,1-2H3