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

Systemtic Name: (3-fluorophenyl) 4-cyano-7-propyl-phenanthrene-2-carboxylate Openeye Name: (3-fluorophenyl) 4-cyano-7-propyl-phenanthrene-2-carboxylate CAS Name: 4-cyano-7-propyl-2-phenanthrenecarboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-cyano-7-propylphenanthrene-2-carboxylate Traditional Name: 4-cyano-7-propyl-phenanthrene-2-carboxylic acid (3-fluorophenyl) 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=C3C#N)C(=O)OC4=CC(=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H18FNO2/c1-2-4-16-7-10-23-17(11-16)8-9-18-12-19(13-20(15-27)24(18)23)25(28)29-22-6-3-5-21(26)14-22/h3,5-14H,2,4H2,1H3