pentyl 4-(2-fluoranyl-4-propyl-phenyl)benzoate

Systemtic Name: pentyl 4-(2-fluoranyl-4-propyl-phenyl)benzoate Openeye Name: pentyl 4-(2-fluoro-4-propyl-phenyl)benzoate CAS Name: 4-(2-fluoro-4-propylphenyl)benzoic acid pentyl ester IUPAC Name: pentyl 4-(2-fluoro-4-propylphenyl)benzoate Traditional Name: 4-(2-fluoro-4-propyl-phenyl)benzoic acid amyl ester Formula: C21H25FO2 MolecularWeight: 328.420403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCC)F

Isomeric SMILES

CCCCCOC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)CCC)F

InChI

InChI=1S/C21H25FO2/c1-3-5-6-14-24-21(23)18-11-9-17(10-12-18)19-13-8-16(7-4-2)15-20(19)22/h8-13,15H,3-7,14H2,1-2H3