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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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