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

Systemtic Name: [3,5-bis(fluoranyl)phenyl] 4-cyano-7-propyl-phenanthrene-2-carboxylate Openeye Name: (3,5-difluorophenyl) 4-cyano-7-propyl-phenanthrene-2-carboxylate CAS Name: 4-cyano-7-propyl-2-phenanthrenecarboxylic acid (3,5-difluorophenyl) ester IUPAC Name: (3,5-difluorophenyl) 4-cyano-7-propylphenanthrene-2-carboxylate Traditional Name: 4-cyano-7-propyl-phenanthrene-2-carboxylic acid (3,5-difluorophenyl) ester Formula: C25H17F2NO2 MolecularWeight: 401.404786

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H17F2NO2/c1-2-3-15-4-7-23-16(8-15)5-6-17-9-18(10-19(14-28)24(17)23)25(29)30-22-12-20(26)11-21(27)13-22/h4-13H,2-3H2,1H3