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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-butanoylbenzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-butanoylbenzoate CAS Name: 4-(1-oxobutyl)benzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-butanoylbenzoate Traditional Name: 4-butyrylbenzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C18H14FNO3 MolecularWeight: 311.307063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14FNO3/c1-2-3-17(21)12-4-6-13(7-5-12)18(22)23-15-9-8-14(11-20)16(19)10-15/h4-10H,2-3H2,1H3