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

Systemtic Name: ethyl 2-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]butanoate Openeye Name: ethyl 2-(2-benzoyl-1-cyano-1-isoquinolyl)butanoate CAS Name: 2-(2-benzoyl-1-cyano-1-isoquinolinyl)butanoic acid ethyl ester IUPAC Name: ethyl 2-(2-benzoyl-1-cyanoisoquinolin-1-yl)butanoate Traditional Name: 2-(2-benzoyl-1-cyano-1-isoquinolyl)butyric acid ethyl ester Formula: C23H22N2O3 MolecularWeight: 374.43238

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)C1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)OCC)C1(C2=CC=CC=C2C=CN1C(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H22N2O3/c1-3-19(22(27)28-4-2)23(16-24)20-13-9-8-10-17(20)14-15-25(23)21(26)18-11-6-5-7-12-18/h5-15,19H,3-4H2,1-2H3