[6-methoxy-6-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexyl]carbamoylboron

Systemtic Name: [6-methoxy-6-oxidanylidene-5-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexyl]carbamoylboron Openeye Name: [6-methoxy-6-oxo-5-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexyl]carbamoylboron CAS Name: [[[6-methoxy-6-oxo-5-[[oxo-[[4-(trifluoromethyl)phenyl]methoxy]methyl]amino]hexyl]amino]-oxomethyl]boron IUPAC Name: [6-methoxy-6-oxo-5-[[4-(trifluoromethyl)phenyl]methoxycarbonylamino]hexyl]carbamoylboron Traditional Name: [6-keto-6-methoxy-5-[[4-(trifluoromethyl)benzyl]oxycarbonylamino]hexyl]carbamoylboron Formula: C17H20BF3N2O5 MolecularWeight: 400.15731

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCCC(C(=O)OC)NC(=O)OCC1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

[B]C(=O)NCCCCC(C(=O)OC)NC(=O)OCC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C17H20BF3N2O5/c1-27-14(24)13(4-2-3-9-22-15(18)25)23-16(26)28-10-11-5-7-12(8-6-11)17(19,20)21/h5-8,13H,2-4,9-10H2,1H3,(H,22,25)(H,23,26)