ethyl 2-[1-[1-cyano-2-(2-methylphenyl)carbonyl-isoquinolin-1-yl]ethyl]benzoate

Systemtic Name: ethyl 2-[1-[1-cyano-2-(2-methylphenyl)carbonyl-isoquinolin-1-yl]ethyl]benzoate Openeye Name: ethyl 2-[1-[1-cyano-2-(2-methylbenzoyl)-1-isoquinolyl]ethyl]benzoate CAS Name: 2-[1-[1-cyano-2-[(2-methylphenyl)-oxomethyl]-1-isoquinolinyl]ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-[1-cyano-2-(2-methylbenzoyl)isoquinolin-1-yl]ethyl]benzoate Traditional Name: 2-[1-(1-cyano-2-o-toluoyl-1-isoquinolyl)ethyl]benzoic acid ethyl ester Formula: C29H26N2O3 MolecularWeight: 450.52834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1C(C)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1C(C)C2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4C)C#N

InChI

InChI=1S/C29H26N2O3/c1-4-34-28(33)25-15-9-8-14-24(25)21(3)29(19-30)26-16-10-6-12-22(26)17-18-31(29)27(32)23-13-7-5-11-20(23)2/h5-18,21H,4H2,1-3H3