tert-butyl N-[2-[3-oxidanylidene-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[3-oxidanylidene-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[1-oxo-7-(trifluoromethyl)isoindolin-2-yl]ethyl]carbamate CAS Name: N-[2-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[3-oxo-4-(trifluoromethyl)-1H-isoindol-2-yl]ethyl]carbamate Traditional Name: N-[2-[1-keto-7-(trifluoromethyl)isoindolin-2-yl]ethyl]carbamic acid tert-butyl ester Formula: C16H19F3N2O3 MolecularWeight: 344.32887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN1CC2=C(C1=O)C(=CC=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)NCCN1CC2=C(C1=O)C(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O3/c1-15(2,3)24-14(23)20-7-8-21-9-10-5-4-6-11(16(17,18)19)12(10)13(21)22/h4-6H,7-9H2,1-3H3,(H,20,23)