cyanomethyl 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate

Systemtic Name: cyanomethyl 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate Openeye Name: cyanomethyl 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate CAS Name: 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]-2-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[[2,3-bis(2-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate Traditional Name: 5-[2,3-bis(2-fluorophenyl)benzyl]picolinic acid cyanomethyl ester Formula: C27H18F2N2O2 MolecularWeight: 440.440826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=CC=C2)CC3=CN=C(C=C3)C(=O)OCC#N)C4=CC=CC=C4F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=CC=C2)CC3=CN=C(C=C3)C(=O)OCC#N)C4=CC=CC=C4F)F

InChI

InChI=1S/C27H18F2N2O2/c28-23-10-3-1-7-20(23)21-9-5-6-19(26(21)22-8-2-4-11-24(22)29)16-18-12-13-25(31-17-18)27(32)33-15-14-30/h1-13,17H,15-16H2