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

Systemtic Name: ethyl 2-[1-[1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]ethyl]benzoate Openeye Name: ethyl 2-[1-(2-benzoyl-1-cyano-1-isoquinolyl)ethyl]benzoate CAS Name: 2-[1-(2-benzoyl-1-cyano-1-isoquinolinyl)ethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[1-(2-benzoyl-1-cyanoisoquinolin-1-yl)ethyl]benzoate Traditional Name: 2-[1-(2-benzoyl-1-cyano-1-isoquinolyl)ethyl]benzoic acid ethyl ester Formula: C28H24N2O3 MolecularWeight: 436.50176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O3/c1-3-33-27(32)24-15-9-8-14-23(24)20(2)28(19-29)25-16-10-7-11-21(25)17-18-30(28)26(31)22-12-5-4-6-13-22/h4-18,20H,3H2,1-2H3