tert-butyl 4-[[4-oxidanylidene-7-(trifluoromethyl)chromen-2-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-oxidanylidene-7-(trifluoromethyl)chromen-2-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-oxo-7-(trifluoromethyl)chromene-2-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[oxo-[4-oxo-7-(trifluoromethyl)-1-benzopyran-2-yl]methyl]amino]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-oxo-7-(trifluoromethyl)chromene-2-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-keto-7-(trifluoromethyl)chromene-2-carbonyl]amino]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H23F3N2O5 MolecularWeight: 440.41293

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC(=O)C3=C(O2)C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H23F3N2O5/c1-20(2,3)31-19(29)26-8-6-13(7-9-26)25-18(28)17-11-15(27)14-5-4-12(21(22,23)24)10-16(14)30-17/h4-5,10-11,13H,6-9H2,1-3H3,(H,25,28)