ethyl 2-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]ethanoate

Systemtic Name: ethyl 2-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]ethanoate Openeye Name: ethyl 2-(2-benzoyl-1-cyano-1-isoquinolyl)acetate CAS Name: 2-(2-benzoyl-1-cyano-1-isoquinolinyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzoyl-1-cyanoisoquinolin-1-yl)acetate Traditional Name: 2-(2-benzoyl-1-cyano-1-isoquinolyl)acetic acid ethyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CC1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N2O3/c1-2-26-19(24)14-21(15-22)18-11-7-6-8-16(18)12-13-23(21)20(25)17-9-4-3-5-10-17/h3-13H,2,14H2,1H3