[2-(1,3-benzoxazol-2-yl)-2,2-bis(fluoranyl)-1-phenyl-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)-2,2-bis(fluoranyl)-1-phenyl-ethyl] pyridine-4-carboxylate Openeye Name: [2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenyl-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenyl-ethyl] ester Formula: C21H14F2N2O3 MolecularWeight: 380.344266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)OC(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H14F2N2O3/c22-21(23,20-25-16-8-4-5-9-17(16)27-20)18(14-6-2-1-3-7-14)28-19(26)15-10-12-24-13-11-15/h1-13,18H