[2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-(butylamino)benzoate

Systemtic Name: [2-(4-acetamido-2-fluoranyl-phenyl)-2-oxidanylidene-ethyl] 2-(butylamino)benzoate Openeye Name: [2-(4-acetamido-2-fluoro-phenyl)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-(4-acetamido-2-fluoro-phenyl)-2-keto-ethyl] ester Formula: C21H23FN2O4 MolecularWeight: 386.416723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC(=O)C2=C(C=C(C=C2)NC(=O)C)F

InChI

InChI=1S/C21H23FN2O4/c1-3-4-11-23-19-8-6-5-7-17(19)21(27)28-13-20(26)16-10-9-15(12-18(16)22)24-14(2)25/h5-10,12,23H,3-4,11,13H2,1-2H3,(H,24,25)