(3-fluorophenyl) 4-cyano-1-fluoranyl-7-propyl-phenanthrene-2-carboxylate

Systemtic Name: (3-fluorophenyl) 4-cyano-1-fluoranyl-7-propyl-phenanthrene-2-carboxylate Openeye Name: (3-fluorophenyl) 4-cyano-1-fluoro-7-propyl-phenanthrene-2-carboxylate CAS Name: 4-cyano-1-fluoro-7-propyl-2-phenanthrenecarboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-cyano-1-fluoro-7-propylphenanthrene-2-carboxylate Traditional Name: 4-cyano-1-fluoro-7-propyl-phenanthrene-2-carboxylic acid (3-fluorophenyl) 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/c1-2-4-15-7-9-20-16(11-15)8-10-21-23(20)17(14-28)12-22(24(21)27)25(29)30-19-6-3-5-18(26)13-19/h3,5-13H,2,4H2,1H3