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

Systemtic Name: methyl (4S)-1-butyl-2-methyl-4-(3-methylbutanoylamino)-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-butyl-2-methyl-4-(3-methylbutanoylamino)-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-butyl-2-methyl-4-[(3-methyl-1-oxobutyl)amino]-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-butyl-2-methyl-4-(3-methylbutanoylamino)-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-butyl-4-(isovalerylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H25F3N2O4 MolecularWeight: 378.38661

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)CC(C)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@](C1=O)(C(F)(F)F)NC(=O)CC(C)C)C(=O)OC)C

InChI

InChI=1S/C17H25F3N2O4/c1-6-7-8-22-11(4)13(14(24)26-5)16(15(22)25,17(18,19)20)21-12(23)9-10(2)3/h10H,6-9H2,1-5H3,(H,21,23)/t16-/m0/s1