(1-ethoxy-1-oxidanylidene-propan-2-yl) 3-fluoranyl-4-(hexadecylamino)benzoate

Systemtic Name: (1-ethoxy-1-oxidanylidene-propan-2-yl) 3-fluoranyl-4-(hexadecylamino)benzoate Openeye Name: (2-ethoxy-1-methyl-2-oxo-ethyl) 3-fluoro-4-(hexadecylamino)benzoate CAS Name: 3-fluoro-4-(hexadecylamino)benzoic acid (1-ethoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-ethoxy-1-oxopropan-2-yl) 3-fluoro-4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)-3-fluoro-benzoic acid (2-ethoxy-2-keto-1-methyl-ethyl) ester Formula: C28H46FNO4 MolecularWeight: 479.667543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC(C)C(=O)OCC)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OC(C)C(=O)OCC)F

InChI

InChI=1S/C28H46FNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-26-20-19-24(22-25(26)29)28(32)34-23(3)27(31)33-5-2/h19-20,22-23,30H,4-18,21H2,1-3H3