[4-cyano-3,5-bis(fluoranyl)phenyl] 4-butylbenzoate

Systemtic Name: [4-cyano-3,5-bis(fluoranyl)phenyl] 4-butylbenzoate Openeye Name: (4-cyano-3,5-difluoro-phenyl) 4-butylbenzoate CAS Name: 4-butylbenzoic acid (4-cyano-3,5-difluorophenyl) ester IUPAC Name: (4-cyano-3,5-difluorophenyl) 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-cyano-3,5-difluoro-phenyl) ester Formula: C18H15F2NO2 MolecularWeight: 315.314006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15F2NO2/c1-2-3-4-12-5-7-13(8-6-12)18(22)23-14-9-16(19)15(11-21)17(20)10-14/h5-10H,2-4H2,1H3