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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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