diethyl 2-[(isoquinolin-8-ylamino)methyl]propanedioate

Systemtic Name: diethyl 2-[(isoquinolin-8-ylamino)methyl]propanedioate Openeye Name: diethyl 2-[(8-isoquinolylamino)methyl]propanedioate CAS Name: 2-[(8-isoquinolinylamino)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(isoquinolin-8-ylamino)methyl]propanedioate Traditional Name: 2-[(8-isoquinolylamino)methyl]malonic acid diethyl ester Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC1=CC=CC2=C1C=NC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CNC1=CC=CC2=C1C=NC=C2)C(=O)OCC

InChI

InChI=1S/C17H20N2O4/c1-3-22-16(20)14(17(21)23-4-2)11-19-15-7-5-6-12-8-9-18-10-13(12)15/h5-10,14,19H,3-4,11H2,1-2H3