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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-butoxybenzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C18H16FNO3 MolecularWeight: 313.322943

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C#N)F

InChI

InChI=1S/C18H16FNO3/c1-2-3-10-22-15-7-4-13(5-8-15)18(21)23-16-9-6-14(12-20)17(19)11-16/h4-9,11H,2-3,10H2,1H3