(2-fluoranyl-3-pentyl-phenyl) 4-butoxybenzoate

Systemtic Name: (2-fluoranyl-3-pentyl-phenyl) 4-butoxybenzoate Openeye Name: (2-fluoro-3-pentyl-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (2-fluoro-3-pentylphenyl) ester IUPAC Name: (2-fluoro-3-pentylphenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (3-amyl-2-fluoro-phenyl) ester Formula: C22H27FO3 MolecularWeight: 358.446383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FO3/c1-3-5-7-9-17-10-8-11-20(21(17)23)26-22(24)18-12-14-19(15-13-18)25-16-6-4-2/h8,10-15H,3-7,9,16H2,1-2H3