(4-cyano-3-fluoranyl-phenyl) 4-butylbenzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-butylbenzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C18H16FNO2 MolecularWeight: 297.323543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C18H16FNO2/c1-2-3-4-13-5-7-14(8-6-13)18(21)22-16-10-9-15(12-20)17(19)11-16/h5-11H,2-4H2,1H3