methyl (4S)-1-cyclohexyl-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: methyl (4S)-1-cyclohexyl-2-methyl-5-oxidanylidene-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-cyclohexyl-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclohexyl-2-methyl-5-oxo-4-[(1-oxo-3-phenylpropyl)amino]-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-cyclohexyl-2-methyl-5-oxo-4-(3-phenylpropanoylamino)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-cyclohexyl-4-(hydrocinnamoylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C23H27F3N2O4 MolecularWeight: 452.46669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H27F3N2O4/c1-15-19(20(30)32-2)22(23(24,25)26,21(31)28(15)17-11-7-4-8-12-17)27-18(29)14-13-16-9-5-3-6-10-16/h3,5-6,9-10,17H,4,7-8,11-14H2,1-2H3,(H,27,29)/t22-/m0/s1