(2-fluoranyl-4-pentyl-phenyl) 4-butoxybenzoate

Systemtic Name: (2-fluoranyl-4-pentyl-phenyl) 4-butoxybenzoate Openeye Name: (2-fluoro-4-pentyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2-fluoro-4-pentylphenyl) ester IUPAC Name: (2-fluoro-4-pentylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-amyl-2-fluoro-phenyl) ester Formula: C22H27FO3 MolecularWeight: 358.446383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCC)F

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OC(=O)C2=CC=C(C=C2)OCCCC)F

InChI

InChI=1S/C22H27FO3/c1-3-5-7-8-17-9-14-21(20(23)16-17)26-22(24)18-10-12-19(13-11-18)25-15-6-4-2/h9-14,16H,3-8,15H2,1-2H3