4-[3-fluoranyl-4-(hexadecylamino)phenyl]butanoic acid

Systemtic Name: 4-[3-fluoranyl-4-(hexadecylamino)phenyl]butanoic acid Openeye Name: 4-[3-fluoro-4-(hexadecylamino)phenyl]butanoic acid CAS Name: 4-[3-fluoro-4-(hexadecylamino)phenyl]butanoic acid IUPAC Name: 4-[3-fluoro-4-(hexadecylamino)phenyl]butanoic acid Traditional Name: 4-[4-(cetylamino)-3-fluoro-phenyl]butyric acid Formula: C26H44FNO2 MolecularWeight: 421.631463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)CCCC(=O)O)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)CCCC(=O)O)F

InChI

InChI=1S/C26H44FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-28-25-20-19-23(22-24(25)27)17-16-18-26(29)30/h19-20,22,28H,2-18,21H2,1H3,(H,29,30)