[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-fluoranyl-4-methoxy-benzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H24FNO5 MolecularWeight: 401.428063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)F

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)OC)F

InChI

InChI=1S/C22H24FNO5/c1-3-4-5-6-21(26)24-17-10-7-15(8-11-17)19(25)14-29-22(27)16-9-12-20(28-2)18(23)13-16/h7-13H,3-6,14H2,1-2H3,(H,24,26)