(5-cyano-2-fluoranyl-phenyl)methyl 2-propan-2-ylquinoline-4-carboxylate

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl 2-propan-2-ylquinoline-4-carboxylate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl 2-isopropylquinoline-4-carboxylate CAS Name: 2-propan-2-yl-4-quinolinecarboxylic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl 2-propan-2-ylquinoline-4-carboxylate Traditional Name: 2-isopropylcinchoninic acid (5-cyano-2-fluoro-benzyl) ester Formula: C21H17FN2O2 MolecularWeight: 348.370283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C21H17FN2O2/c1-13(2)20-10-17(16-5-3-4-6-19(16)24-20)21(25)26-12-15-9-14(11-23)7-8-18(15)22/h3-10,13H,12H2,1-2H3