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

Systemtic Name: methyl (4S)-4-(3-cyclohexylpropanoylamino)-1-cyclopentyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-(3-cyclohexylpropanoylamino)-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[(3-cyclohexyl-1-oxopropyl)amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(3-cyclohexylpropanoylamino)-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-(3-cyclohexylpropanoylamino)-1-cyclopentyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H31F3N2O4 MolecularWeight: 444.48775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)CCC3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)CCC3CCCCC3)C(=O)OC

InChI

InChI=1S/C22H31F3N2O4/c1-14-18(19(29)31-2)21(22(23,24)25,20(30)27(14)16-10-6-7-11-16)26-17(28)13-12-15-8-4-3-5-9-15/h15-16H,3-13H2,1-2H3,(H,26,28)/t21-/m0/s1