3-(1-cyano-2-methyl-propyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid

Systemtic Name: 3-(1-cyano-2-methyl-propyl)-4-(3-fluoranyl-4-octoxy-phenyl)benzoic acid Openeye Name: 3-(1-cyano-2-methyl-propyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid CAS Name: 3-(1-cyano-2-methylpropyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid IUPAC Name: 3-(1-cyano-2-methylpropyl)-4-(3-fluoro-4-octoxyphenyl)benzoic acid Traditional Name: 3-(1-cyano-2-methyl-propyl)-4-(3-fluoro-4-octoxy-phenyl)benzoic acid Formula: C26H32FNO3 MolecularWeight: 425.535583

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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#N)C(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C26H32FNO3/c1-4-5-6-7-8-9-14-31-25-13-11-19(16-24(25)27)21-12-10-20(26(29)30)15-22(21)23(17-28)18(2)3/h10-13,15-16,18,23H,4-9,14H2,1-3H3,(H,29,30)