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

Systemtic Name: tert-butyl 4-fluoranyl-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]benzoate Openeye Name: tert-butyl 3-[[4-(tert-butoxycarbonylamino)butylamino]methyl]-4-fluoro-benzoate CAS Name: 4-fluoro-3-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-fluoro-3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]methyl]benzoate Traditional Name: 3-[[4-(tert-butoxycarbonylamino)butylamino]methyl]-4-fluoro-benzoic acid tert-butyl ester Formula: C21H33FN2O4 MolecularWeight: 396.496123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33FN2O4/c1-20(2,3)27-18(25)15-9-10-17(22)16(13-15)14-23-11-7-8-12-24-19(26)28-21(4,5)6/h9-10,13,23H,7-8,11-12,14H2,1-6H3,(H,24,26)