(3-fluorophenyl) 4-cyano-1,3-bis(fluoranyl)-7-propyl-9,10-dihydrophenanthrene-2-carboxylate

Systemtic Name: (3-fluorophenyl) 4-cyano-1,3-bis(fluoranyl)-7-propyl-9,10-dihydrophenanthrene-2-carboxylate Openeye Name: (3-fluorophenyl) 4-cyano-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene-2-carboxylate CAS Name: 4-cyano-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene-2-carboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-cyano-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene-2-carboxylate Traditional Name: 4-cyano-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene-2-carboxylic acid (3-fluorophenyl) ester Formula: C25H18F3NO2 MolecularWeight: 421.41113

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C3=C(C(=C(C(=C3CC2)F)C(=O)OC4=CC(=CC=C4)F)F)C#N

Isomeric SMILES

CCCC1=CC2=C(C=C1)C3=C(C(=C(C(=C3CC2)F)C(=O)OC4=CC(=CC=C4)F)F)C#N

InChI

InChI=1S/C25H18F3NO2/c1-2-4-14-7-9-18-15(11-14)8-10-19-21(18)20(13-29)24(28)22(23(19)27)25(30)31-17-6-3-5-16(26)12-17/h3,5-7,9,11-12H,2,4,8,10H2,1H3