[3,5-bis(fluoranyl)phenyl] 4-cyano-1-fluoranyl-7-propyl-phenanthrene-2-carboxylate

Systemtic Name: [3,5-bis(fluoranyl)phenyl] 4-cyano-1-fluoranyl-7-propyl-phenanthrene-2-carboxylate Openeye Name: (3,5-difluorophenyl) 4-cyano-1-fluoro-7-propyl-phenanthrene-2-carboxylate CAS Name: 4-cyano-1-fluoro-7-propyl-2-phenanthrenecarboxylic acid (3,5-difluorophenyl) ester IUPAC Name: (3,5-difluorophenyl) 4-cyano-1-fluoro-7-propylphenanthrene-2-carboxylate Traditional Name: 4-cyano-1-fluoro-7-propyl-phenanthrene-2-carboxylic acid (3,5-difluorophenyl) ester Formula: C25H16F3NO2 MolecularWeight: 419.39525

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3C#N)C(=O)OC4=CC(=CC(=C4)F)F)F

Isomeric SMILES

CCCC1=CC2=C(C=C1)C3=C(C=C2)C(=C(C=C3C#N)C(=O)OC4=CC(=CC(=C4)F)F)F

InChI

InChI=1S/C25H16F3NO2/c1-2-3-14-4-6-20-15(8-14)5-7-21-23(20)16(13-29)9-22(24(21)28)25(30)31-19-11-17(26)10-18(27)12-19/h4-12H,2-3H2,1H3