tert-butyl 4-fluoranyl-3-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]benzoate

Systemtic Name: tert-butyl 4-fluoranyl-3-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]benzoate Openeye Name: tert-butyl 3-[[6-(tert-butoxycarbonylamino)hexylamino]methyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-3-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]methyl]benzoate Traditional Name: 3-[[6-(tert-butoxycarbonylamino)hexylamino]methyl]-4-fluoro-benzoic acid tert-butyl ester Formula: C23H37FN2O4 MolecularWeight: 424.549283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H37FN2O4/c1-22(2,3)29-20(27)17-11-12-19(24)18(15-17)16-25-13-9-7-8-10-14-26-21(28)30-23(4,5)6/h11-12,15,25H,7-10,13-14,16H2,1-6H3,(H,26,28)