[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 3-fluoranyl-4-(hexadecylamino)benzoate

Systemtic Name: [(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl] 3-fluoranyl-4-(hexadecylamino)benzoate Openeye Name: [(E)-3-ethoxy-3-oxo-prop-1-enyl] 3-fluoro-4-(hexadecylamino)benzoate CAS Name: 3-fluoro-4-(hexadecylamino)benzoic acid [(E)-3-ethoxy-3-oxoprop-1-enyl] ester IUPAC Name: [(E)-3-ethoxy-3-oxoprop-1-enyl] 3-fluoro-4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)-3-fluoro-benzoic acid [(E)-3-ethoxy-3-keto-prop-1-enyl] ester Formula: C28H44FNO4 MolecularWeight: 477.651663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44FNO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-26-19-18-24(23-25(26)29)28(32)34-22-20-27(31)33-4-2/h18-20,22-23,30H,3-17,21H2,1-2H3/b22-20+