tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-fluoranyl-1-oxidanylidene-propan-2-yl)benzoate

Systemtic Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-fluoranyl-1-oxidanylidene-propan-2-yl)benzoate Openeye Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(2-fluoro-1-methyl-2-oxo-ethyl)benzoate CAS Name: 4-[[[butoxy(oxo)methyl]-phenethylamino]methyl]-3-(1-fluoro-1-oxopropan-2-yl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(1-fluoro-1-oxopropan-2-yl)benzoate Traditional Name: 4-[[butoxycarbonyl(phenethyl)amino]methyl]-3-(2-fluoro-2-keto-1-methyl-ethyl)benzoic acid tert-butyl ester Formula: C28H36FNO5 MolecularWeight: 485.587543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(C)C(=O)F

Isomeric SMILES

CCCCOC(=O)N(CCC1=CC=CC=C1)CC2=C(C=C(C=C2)C(=O)OC(C)(C)C)C(C)C(=O)F

InChI

InChI=1S/C28H36FNO5/c1-6-7-17-34-27(33)30(16-15-21-11-9-8-10-12-21)19-23-14-13-22(26(32)35-28(3,4)5)18-24(23)20(2)25(29)31/h8-14,18,20H,6-7,15-17,19H2,1-5H3