7-[4-[4-cyano-2,3-bis(fluoranyl)phenyl]phenyl]heptyl oxirane-2-carboxylate

Systemtic Name: 7-[4-[4-cyano-2,3-bis(fluoranyl)phenyl]phenyl]heptyl oxirane-2-carboxylate Openeye Name: 7-[4-(4-cyano-2,3-difluoro-phenyl)phenyl]heptyl oxirane-2-carboxylate CAS Name: 2-oxiranecarboxylic acid 7-[4-(4-cyano-2,3-difluorophenyl)phenyl]heptyl ester IUPAC Name: 7-[4-(4-cyano-2,3-difluorophenyl)phenyl]heptyl oxirane-2-carboxylate Traditional Name: oxirane-2-carboxylic acid 7-[4-(4-cyano-2,3-difluoro-phenyl)phenyl]heptyl ester Formula: C23H23F2NO3 MolecularWeight: 399.430426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)C(=O)OCCCCCCCC2=CC=C(C=C2)C3=C(C(=C(C=C3)C#N)F)F

Isomeric SMILES

C1C(O1)C(=O)OCCCCCCCC2=CC=C(C=C2)C3=C(C(=C(C=C3)C#N)F)F

InChI

InChI=1S/C23H23F2NO3/c24-21-18(14-26)11-12-19(22(21)25)17-9-7-16(8-10-17)6-4-2-1-3-5-13-28-23(27)20-15-29-20/h7-12,20H,1-6,13,15H2