(4S)-4-(3-cyclohexylpropanoylamino)-1-(2-methylphenyl)-5-oxidanylidene-4-(trifluoromethyl)imidazol-2-olate

Systemtic Name: (4S)-4-(3-cyclohexylpropanoylamino)-1-(2-methylphenyl)-5-oxidanylidene-4-(trifluoromethyl)imidazol-2-olate Openeye Name: (4S)-4-(3-cyclohexylpropanoylamino)-1-(o-tolyl)-5-oxo-4-(trifluoromethyl)imidazol-2-olate CAS Name: (4S)-4-[(3-cyclohexyl-1-oxopropyl)amino]-1-(2-methylphenyl)-5-oxo-4-(trifluoromethyl)-2-imidazololate IUPAC Name: (4S)-4-(3-cyclohexylpropanoylamino)-1-(2-methylphenyl)-5-oxo-4-(trifluoromethyl)imidazol-2-olate Traditional Name: (4S)-4-(3-cyclohexylpropanoylamino)-5-keto-1-(o-tolyl)-4-(trifluoromethyl)-2-imidazolin-2-olate Formula: C20H23F3N3O3- MolecularWeight: 410.41013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(N=C2[O-])(C(F)(F)F)NC(=O)CCC3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@](N=C2[O-])(C(F)(F)F)NC(=O)CCC3CCCCC3

InChI

InChI=1S/C20H24F3N3O3/c1-13-7-5-6-10-15(13)26-17(28)19(20(21,22)23,25-18(26)29)24-16(27)12-11-14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,24,27)(H,25,29)/p-1/t19-/m0/s1