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

Systemtic Name: methyl (4S)-1-cyclohexyl-4-(cyclohexylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-4-(cyclohexanecarbonylamino)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-cyclohexyl-4-[[cyclohexyl(oxo)methyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(cyclohexanecarbonylamino)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-4-(cyclohexanecarbonylamino)-1-cyclohexyl-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H29F3N2O4 MolecularWeight: 430.46117

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C([C@](C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C21H29F3N2O4/c1-13-16(18(28)30-2)20(21(22,23)24,25-17(27)14-9-5-3-6-10-14)19(29)26(13)15-11-7-4-8-12-15/h14-15H,3-12H2,1-2H3,(H,25,27)/t20-/m0/s1