ethyl 2-(3-chloranylisoquinolin-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-chloranylisoquinolin-1-yl)ethanoate Openeye Name: ethyl 2-(3-chloro-1-isoquinolyl)acetate CAS Name: 2-(3-chloro-1-isoquinolinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-chloroisoquinolin-1-yl)acetate Traditional Name: 2-(3-chloro-1-isoquinolyl)acetic acid ethyl ester Formula: C13H12ClNO2 MolecularWeight: 249.69288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NC(=CC2=CC=CC=C21)Cl

Isomeric SMILES

CCOC(=O)CC1=NC(=CC2=CC=CC=C21)Cl

InChI

InChI=1S/C13H12ClNO2/c1-2-17-13(16)8-11-10-6-4-3-5-9(10)7-12(14)15-11/h3-7H,2,8H2,1H3