cyanomethyl 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate

Systemtic Name: cyanomethyl 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate Openeye Name: cyanomethyl 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate CAS Name: 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]-2-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[[2,3-bis(4-fluorophenyl)phenyl]methyl]pyridine-2-carboxylate Traditional Name: 5-[2,3-bis(4-fluorophenyl)benzyl]picolinic acid cyanomethyl ester Formula: C27H18F2N2O2 MolecularWeight: 440.440826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CC2=CN=C(C=C2)C(=O)OCC#N)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=C(C(=C1)CC2=CN=C(C=C2)C(=O)OCC#N)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

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