(4-cyano-3-fluoranyl-phenyl) 4-[4-(butoxymethyl)cyclohexyl]benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[4-(butoxymethyl)cyclohexyl]benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-[4-(butoxymethyl)cyclohexyl]benzoate CAS Name: 4-[4-(butoxymethyl)cyclohexyl]benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-[4-(butoxymethyl)cyclohexyl]benzoate Traditional Name: 4-[4-(butoxymethyl)cyclohexyl]benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C25H28FNO3 MolecularWeight: 409.493123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCOCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H28FNO3/c1-2-3-14-29-17-18-4-6-19(7-5-18)20-8-10-21(11-9-20)25(28)30-23-13-12-22(16-27)24(26)15-23/h8-13,15,18-19H,2-7,14,17H2,1H3