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

Systemtic Name: 3-[3-fluoranyl-4-(hexadecylamino)phenyl]propanoic acid Openeye Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoic acid CAS Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoic acid IUPAC Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoic acid Traditional Name: 3-[4-(cetylamino)-3-fluoro-phenyl]propionic acid Formula: C25H42FNO2 MolecularWeight: 407.604883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-24-18-16-22(21-23(24)26)17-19-25(28)29/h16,18,21,27H,2-15,17,19-20H2,1H3,(H,28,29)