[4-(4-butylphenyl)-2-fluoranyl-phenyl] 2-methylbutanoate

Systemtic Name: [4-(4-butylphenyl)-2-fluoranyl-phenyl] 2-methylbutanoate Openeye Name: [4-(4-butylphenyl)-2-fluoro-phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-(4-butylphenyl)-2-fluorophenyl] ester IUPAC Name: [4-(4-butylphenyl)-2-fluorophenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-(4-butylphenyl)-2-fluoro-phenyl] ester Formula: C21H25FO2 MolecularWeight: 328.420403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)OC(=O)C(C)CC)F

InChI

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