cyanomethyl 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylate

Systemtic Name: cyanomethyl 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylate Openeye Name: cyanomethyl 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylate CAS Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]-2-pyridinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 5-[tris[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxylate Traditional Name: 5-[tris[3-(trifluoromethyl)phenyl]methyl]picolinic acid cyanomethyl ester Formula: C30H17F9N2O2 MolecularWeight: 608.453809

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H17F9N2O2/c31-28(32,33)21-7-1-4-18(14-21)27(19-5-2-8-22(15-19)29(34,35)36,20-6-3-9-23(16-20)30(37,38)39)24-10-11-25(41-17-24)26(42)43-13-12-40/h1-11,14-17H,13H2