(2-oxidanylideneazepan-3-yl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-[[3-(trifluoromethyl)phenyl]amino]benzoate Openeye Name: (2-oxoazepan-3-yl) 2-[3-(trifluoromethyl)anilino]benzoate CAS Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-[3-(trifluoromethyl)anilino]benzoate Traditional Name: 2-[3-(trifluoromethyl)anilino]benzoic acid (2-ketoazepan-3-yl) ester Formula: C20H19F3N2O3 MolecularWeight: 392.37167

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)OC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O3/c21-20(22,23)13-6-5-7-14(12-13)25-16-9-2-1-8-15(16)19(27)28-17-10-3-4-11-24-18(17)26/h1-2,5-9,12,17,25H,3-4,10-11H2,(H,24,26)