[4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: [4-oxidanylidene-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid [4-oxo-3-phenoxy-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid [4-keto-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] ester Formula: C27H28F3NO7 MolecularWeight: 535.50893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H28F3NO7/c1-15(2)13-19(31-25(34)38-26(3,4)5)24(33)36-17-11-12-18-20(14-17)37-23(27(28,29)30)22(21(18)32)35-16-9-7-6-8-10-16/h6-12,14-15,19H,13H2,1-5H3,(H,31,34)/t19-/m0/s1