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

Systemtic Name: methyl (4S)-1-butyl-4-(3-cyclohexylpropanoylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-butyl-4-(3-cyclohexylpropanoylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-butyl-4-[(3-cyclohexyl-1-oxopropyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-butyl-4-(3-cyclohexylpropanoylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-butyl-4-(3-cyclohexylpropanoylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H31F3N2O4 MolecularWeight: 432.47705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)CCC2CCCCC2)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@](C1=O)(C(F)(F)F)NC(=O)CCC2CCCCC2)C(=O)OC)C

InChI

InChI=1S/C21H31F3N2O4/c1-4-5-13-26-14(2)17(18(28)30-3)20(19(26)29,21(22,23)24)25-16(27)12-11-15-9-7-6-8-10-15/h15H,4-13H2,1-3H3,(H,25,27)/t20-/m0/s1