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

Systemtic Name: 3-[3-fluoranyl-4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxopropanoic acid Traditional Name: 3-[4-(cetylamino)-3-fluoro-phenyl]-3-keto-propionic acid Formula: C25H40FNO3 MolecularWeight: 421.588403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-23-17-16-21(19-22(23)26)24(28)20-25(29)30/h16-17,19,27H,2-15,18,20H2,1H3,(H,29,30)