[2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methyl 2-pyridin-4-ylquinoline-4-carboxylate

Systemtic Name: [2-[bis(fluoranyl)methoxy]-5-chloranyl-phenyl]methyl 2-pyridin-4-ylquinoline-4-carboxylate Openeye Name: [5-chloro-2-(difluoromethoxy)phenyl]methyl 2-(4-pyridyl)quinoline-4-carboxylate CAS Name: 2-pyridin-4-yl-4-quinolinecarboxylic acid [5-chloro-2-(difluoromethoxy)phenyl]methyl ester IUPAC Name: [5-chloro-2-(difluoromethoxy)phenyl]methyl 2-pyridin-4-ylquinoline-4-carboxylate Traditional Name: 2-(4-pyridyl)cinchoninic acid [5-chloro-2-(difluoromethoxy)benzyl] ester Formula: C23H15ClF2N2O3 MolecularWeight: 440.826606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=C(C=CC(=C4)Cl)OC(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)OCC4=C(C=CC(=C4)Cl)OC(F)F

InChI

InChI=1S/C23H15ClF2N2O3/c24-16-5-6-21(31-23(25)26)15(11-16)13-30-22(29)18-12-20(14-7-9-27-10-8-14)28-19-4-2-1-3-17(18)19/h1-12,23H,13H2