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

Systemtic Name: methyl (4S)-4-(cyclohexylcarbonylamino)-1-cyclopentyl-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-(cyclohexanecarbonylamino)-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-4-[[cyclohexyl(oxo)methyl]amino]-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(cyclohexanecarbonylamino)-1-cyclopentyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-(cyclohexanecarbonylamino)-1-cyclopentyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H27F3N2O4 MolecularWeight: 416.43459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C20H27F3N2O4/c1-12-15(17(27)29-2)19(20(21,22)23,18(28)25(12)14-10-6-7-11-14)24-16(26)13-8-4-3-5-9-13/h13-14H,3-11H2,1-2H3,(H,24,26)/t19-/m0/s1