(3-phenylisoquinolin-4-yl)methyl 2-(trifluoromethyl)benzoate

Systemtic Name: (3-phenylisoquinolin-4-yl)methyl 2-(trifluoromethyl)benzoate Openeye Name: (3-phenyl-4-isoquinolyl)methyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid (3-phenyl-4-isoquinolinyl)methyl ester IUPAC Name: (3-phenylisoquinolin-4-yl)methyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid (3-phenyl-4-isoquinolyl)methyl ester Formula: C24H16F3NO2 MolecularWeight: 407.38455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C=N2)COC(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C24H16F3NO2/c25-24(26,27)21-13-7-6-12-19(21)23(29)30-15-20-18-11-5-4-10-17(18)14-28-22(20)16-8-2-1-3-9-16/h1-14H,15H2