methyl 5-azanyl-2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-ynoate

Systemtic Name: methyl 5-azanyl-2-[bis(fluoranyl)methyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-ynoate Openeye Name: methyl 5-amino-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoate CAS Name: 5-amino-2-(difluoromethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pentynoic acid methyl ester IUPAC Name: methyl 5-amino-2-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-ynoate Traditional Name: 5-amino-2-(tert-butoxycarbonylamino)-2-(difluoromethyl)pent-3-ynoic acid methyl ester Formula: C12H18F2N2O4 MolecularWeight: 292.279126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C#CCN)(C(F)F)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(C#CCN)(C(F)F)C(=O)OC

InChI

InChI=1S/C12H18F2N2O4/c1-11(2,3)20-10(18)16-12(8(13)14,6-5-7-15)9(17)19-4/h8H,7,15H2,1-4H3,(H,16,18)