tert-butyl 2-[4-bromanyl-1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-bromanyl-1-cyano-2-(phenylcarbonyl)isoquinolin-1-yl]ethanoate Openeye Name: tert-butyl 2-(2-benzoyl-4-bromo-1-cyano-1-isoquinolyl)acetate CAS Name: 2-(2-benzoyl-4-bromo-1-cyano-1-isoquinolinyl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-benzoyl-4-bromo-1-cyanoisoquinolin-1-yl)acetate Traditional Name: 2-(2-benzoyl-4-bromo-1-cyano-1-isoquinolyl)acetic acid tert-butyl ester Formula: C23H21BrN2O3 MolecularWeight: 453.32844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1(C2=CC=CC=C2C(=CN1C(=O)C3=CC=CC=C3)Br)C#N

Isomeric SMILES

CC(C)(C)OC(=O)CC1(C2=CC=CC=C2C(=CN1C(=O)C3=CC=CC=C3)Br)C#N

InChI

InChI=1S/C23H21BrN2O3/c1-22(2,3)29-20(27)13-23(15-25)18-12-8-7-11-17(18)19(24)14-26(23)21(28)16-9-5-4-6-10-16/h4-12,14H,13H2,1-3H3