[3-(1-benzofuran-2-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [3-(1-benzofuran-2-yl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [3-(benzofuran-2-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [3-(2-benzofuranyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(1-benzofuran-2-yl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid [3-(benzofuran-2-yl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C28H26F3NO7 MolecularWeight: 545.50375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=CC=CC=C4O3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC4=CC=CC=C4O3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H26F3NO7/c1-14(2)22(32-26(35)39-27(3,4)5)25(34)36-16-10-11-17-19(13-16)38-24(28(29,30)31)21(23(17)33)20-12-15-8-6-7-9-18(15)37-20/h6-14,22H,1-5H3,(H,32,35)/t22-/m0/s1