[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-fluoranylbenzoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C21H22FNO4 MolecularWeight: 371.402083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FNO4/c1-2-3-4-8-20(25)23-18-11-9-15(10-12-18)19(24)14-27-21(26)16-6-5-7-17(22)13-16/h5-7,9-13H,2-4,8,14H2,1H3,(H,23,25)