3-but-3-enyl-2-(4-cyano-3-fluoranyl-phenyl)benzoic acid

Systemtic Name: 3-but-3-enyl-2-(4-cyano-3-fluoranyl-phenyl)benzoic acid Openeye Name: 3-but-3-enyl-2-(4-cyano-3-fluoro-phenyl)benzoic acid CAS Name: 3-but-3-enyl-2-(4-cyano-3-fluorophenyl)benzoic acid IUPAC Name: 3-but-3-enyl-2-(4-cyano-3-fluorophenyl)benzoic acid Traditional Name: 3-but-3-enyl-2-(4-cyano-3-fluoro-phenyl)benzoic acid Formula: C18H14FNO2 MolecularWeight: 295.307663

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CC=CC(=C1C2=CC(=C(C=C2)C#N)F)C(=O)O

Isomeric SMILES

C=CCCC1=CC=CC(=C1C2=CC(=C(C=C2)C#N)F)C(=O)O

InChI

InChI=1S/C18H14FNO2/c1-2-3-5-12-6-4-7-15(18(21)22)17(12)13-8-9-14(11-20)16(19)10-13/h2,4,6-10H,1,3,5H2,(H,21,22)