methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate

Systemtic Name: methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)-1,2-diazirin-3-yl]benzoate Openeye Name: methyl 2-[2-[2-[2-(tert-butoxycarbonylamino)ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoate CAS Name: 2-[2-[2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)-3-diazirinyl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoate Traditional Name: 2-[2-[2-[2-(tert-butoxycarbonylamino)ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid methyl ester Formula: C21H28F3N3O7 MolecularWeight: 491.45813

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCOCCOCCOC1=C(C=CC=C1C2(N=N2)C(F)(F)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCOCCOCCOC1=C(C=CC=C1C2(N=N2)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C21H28F3N3O7/c1-19(2,3)34-18(29)25-8-9-31-10-11-32-12-13-33-16-14(17(28)30-4)6-5-7-15(16)20(26-27-20)21(22,23)24/h5-7H,8-13H2,1-4H3,(H,25,29)