[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-benzamidobutanoate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylcarbamoylamino]ethyl] 3-benzamidobutanoate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [2-oxo-2-[[oxo-(2,2,2-trifluoroethylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-keto-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] ester Formula: C16H18F3N3O5 MolecularWeight: 389.32643

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC(=O)NCC(F)(F)F)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(CC(=O)OCC(=O)NC(=O)NCC(F)(F)F)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H18F3N3O5/c1-10(21-14(25)11-5-3-2-4-6-11)7-13(24)27-8-12(23)22-15(26)20-9-16(17,18)19/h2-6,10H,7-9H2,1H3,(H,21,25)(H2,20,22,23,26)