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

Systemtic Name: methyl (4S)-1-cyclohexyl-2-methyl-4-(3-methylbutanoylamino)-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-cyclohexyl-2-methyl-4-(3-methylbutanoylamino)-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclohexyl-2-methyl-4-[(3-methyl-1-oxobutyl)amino]-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-cyclohexyl-2-methyl-4-(3-methylbutanoylamino)-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-cyclohexyl-4-(isovalerylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C19H27F3N2O4 MolecularWeight: 404.42389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27F3N2O4/c1-11(2)10-14(25)23-18(19(20,21)22)15(16(26)28-4)12(3)24(17(18)27)13-8-6-5-7-9-13/h11,13H,5-10H2,1-4H3,(H,23,25)/t18-/m0/s1