ethyl (E,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-4-(trifluoromethyl)hex-2-enoate

Systemtic Name: ethyl (E,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-4-(trifluoromethyl)hex-2-enoate Openeye Name: ethyl (E,5S)-5-(tert-butoxycarbonylamino)-2-methyl-6-phenyl-4-(trifluoromethyl)hex-2-enoate CAS Name: (E,5S)-2-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-phenyl-4-(trifluoromethyl)-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenyl-4-(trifluoromethyl)hex-2-enoate Traditional Name: (E,5S)-5-(tert-butoxycarbonylamino)-2-methyl-6-phenyl-4-(trifluoromethyl)hex-2-enoic acid ethyl ester Formula: C21H28F3NO4 MolecularWeight: 415.44653

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)/C(=C/C([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)C(F)(F)F)/C

InChI

InChI=1S/C21H28F3NO4/c1-6-28-18(26)14(2)12-16(21(22,23)24)17(13-15-10-8-7-9-11-15)25-19(27)29-20(3,4)5/h7-12,16-17H,6,13H2,1-5H3,(H,25,27)/b14-12+/t16?,17-/m0/s1