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

Systemtic Name: ethyl 2-[[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]methyl]benzoate Openeye Name: ethyl 2-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]benzoate CAS Name: 2-[(2-benzoyl-1-cyano-1-isoquinolinyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzoyl-1-cyanoisoquinolin-1-yl)methyl]benzoate Traditional Name: 2-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]benzoic acid ethyl ester Formula: C27H22N2O3 MolecularWeight: 422.47518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C27H22N2O3/c1-2-32-26(31)23-14-8-6-13-22(23)18-27(19-28)24-15-9-7-10-20(24)16-17-29(27)25(30)21-11-4-3-5-12-21/h3-17H,2,18H2,1H3