(2-cyano-4-fluoranyl-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate

Systemtic Name: (2-cyano-4-fluoranyl-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate Openeye Name: (2-cyano-4-fluoro-phenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate CAS Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzoic acid (2-cyano-4-fluorophenyl) ester IUPAC Name: (2-cyano-4-fluorophenyl) 4-[4-(4-pentylcyclohexyl)phenyl]benzoate Traditional Name: 4-[4-(4-amylcyclohexyl)phenyl]benzoic acid (2-cyano-4-fluoro-phenyl) ester Formula: C31H32FNO2 MolecularWeight: 469.589683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4)F)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OC4=C(C=C(C=C4)F)C#N

InChI

InChI=1S/C31H32FNO2/c1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-27(17-15-26)31(34)35-30-19-18-29(32)20-28(30)21-33/h10-20,22-23H,2-9H2,1H3