4-[2-fluoranyl-4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-fluoranyl-4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-fluoro-4-(hexadecylamino)phenyl]-4-oxo-butanoic acid CAS Name: 4-[2-fluoro-4-(hexadecylamino)phenyl]-4-oxobutanoic acid IUPAC Name: 4-[2-fluoro-4-(hexadecylamino)phenyl]-4-oxobutanoic acid Traditional Name: 4-[4-(cetylamino)-2-fluoro-phenyl]-4-keto-butyric acid Formula: C26H42FNO3 MolecularWeight: 435.614983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-22-16-17-23(24(27)21-22)25(29)18-19-26(30)31/h16-17,21,28H,2-15,18-20H2,1H3,(H,30,31)