3-(1-cyanoethyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid

Systemtic Name: 3-(1-cyanoethyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid Openeye Name: 3-(1-cyanoethyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid CAS Name: 3-(1-cyanoethyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid IUPAC Name: 3-(1-cyanoethyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid Traditional Name: 3-(1-cyanoethyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid Formula: C24H28FNO3 MolecularWeight: 397.482423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C(C)C#N)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)O)C(C)C#N)F

InChI

InChI=1S/C24H28FNO3/c1-3-4-5-6-7-8-13-29-23-12-10-18(15-22(23)25)20-11-9-19(24(27)28)14-21(20)17(2)16-26/h9-12,14-15,17H,3-8,13H2,1-2H3,(H,27,28)