(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid (2-chloro-6-fluoro-benzyl) ester Formula: C25H19ClFNO4 MolecularWeight: 451.874063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=CC=C4Cl)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=C(C=CC=C4Cl)F)OC

InChI

InChI=1S/C25H19ClFNO4/c1-30-23-11-10-15(12-24(23)31-2)22-13-17(16-6-3-4-9-21(16)28-22)25(29)32-14-18-19(26)7-5-8-20(18)27/h3-13H,14H2,1-2H3