(4-cyanophenyl) 1-fluoranyl-7-propyl-phenanthrene-2-carboxylate

Systemtic Name: (4-cyanophenyl) 1-fluoranyl-7-propyl-phenanthrene-2-carboxylate Openeye Name: (4-cyanophenyl) 1-fluoro-7-propyl-phenanthrene-2-carboxylate CAS Name: 1-fluoro-7-propyl-2-phenanthrenecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 1-fluoro-7-propylphenanthrene-2-carboxylate Traditional Name: 1-fluoro-7-propyl-phenanthrene-2-carboxylic acid (4-cyanophenyl) ester Formula: C25H18FNO2 MolecularWeight: 383.414323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H18FNO2/c1-2-3-16-6-10-20-18(14-16)7-11-22-21(20)12-13-23(24(22)26)25(28)29-19-8-4-17(15-27)5-9-19/h4-14H,2-3H2,1H3