[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C21H21ClFNO4 MolecularWeight: 405.847143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C21H21ClFNO4/c1-2-3-4-8-19(26)24-15-11-9-14(10-12-15)18(25)13-28-21(27)20-16(22)6-5-7-17(20)23/h5-7,9-12H,2-4,8,13H2,1H3,(H,24,26)