2-[[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[2-fluoro-4-(hexadecylamino)benzoyl]amino]acetic acid CAS Name: 2-[[[2-fluoro-4-(hexadecylamino)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-fluoro-4-(hexadecylamino)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(cetylamino)-2-fluoro-benzoyl]amino]acetic acid Formula: C25H41FN2O3 MolecularWeight: 436.603043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41FN2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-21-16-17-22(23(26)19-21)25(31)28-20-24(29)30/h16-17,19,27H,2-15,18,20H2,1H3,(H,28,31)(H,29,30)