tert-butyl 4-fluoranyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoate

Systemtic Name: tert-butyl 4-fluoranyl-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoate Openeye Name: tert-butyl 3-[[2-(tert-butoxycarbonylamino)ethylamino]methyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]methyl]benzoate Traditional Name: 3-[[2-(tert-butoxycarbonylamino)ethylamino]methyl]-4-fluoro-benzoic acid tert-butyl ester Formula: C19H29FN2O4 MolecularWeight: 368.442963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CNCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)F)CNCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29FN2O4/c1-18(2,3)25-16(23)13-7-8-15(20)14(11-13)12-21-9-10-22-17(24)26-19(4,5)6/h7-8,11,21H,9-10,12H2,1-6H3,(H,22,24)