3-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylpentane-2,4-dione

Systemtic Name: 3-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylpentane-2,4-dione Openeye Name: 3-[2-fluoro-4-(hexadecylamino)benzoyl]pentane-2,4-dione CAS Name: 3-[[2-fluoro-4-(hexadecylamino)phenyl]-oxomethyl]pentane-2,4-dione IUPAC Name: 3-[2-fluoro-4-(hexadecylamino)benzoyl]pentane-2,4-dione Traditional Name: 3-[4-(cetylamino)-2-fluoro-benzoyl]pentane-2,4-dione Formula: C28H44FNO3 MolecularWeight: 461.652263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44FNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-24-18-19-25(26(29)21-24)28(33)27(22(2)31)23(3)32/h18-19,21,27,30H,4-17,20H2,1-3H3