ethyl 2-cyano-2-isoquinolin-4-yl-ethanoate

Systemtic Name: ethyl 2-cyano-2-isoquinolin-4-yl-ethanoate Openeye Name: ethyl 2-cyano-2-(4-isoquinolyl)acetate CAS Name: 2-cyano-2-(4-isoquinolinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-isoquinolin-4-ylacetate Traditional Name: 2-cyano-2-(4-isoquinolyl)acetic acid ethyl ester Formula: C14H12N2O2 MolecularWeight: 240.25728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=CN=CC2=CC=CC=C21

Isomeric SMILES

CCOC(=O)C(C#N)C1=CN=CC2=CC=CC=C21

InChI

InChI=1S/C14H12N2O2/c1-2-18-14(17)12(7-15)13-9-16-8-10-5-3-4-6-11(10)13/h3-6,8-9,12H,2H2,1H3