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

Systemtic Name: methyl (4S)-1-butyl-4-(cyclohexylcarbonylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: methyl (4S)-1-butyl-4-(cyclohexanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: (4S)-1-butyl-4-[[cyclohexyl(oxo)methyl]amino]-2-methyl-5-oxo-4-(trifluoromethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4S)-1-butyl-4-(cyclohexanecarbonylamino)-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: (4S)-1-butyl-4-(cyclohexanecarbonylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C19H27F3N2O4 MolecularWeight: 404.42389

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(C1=O)(C(F)(F)F)NC(=O)C2CCCCC2)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@](C1=O)(C(F)(F)F)NC(=O)C2CCCCC2)C(=O)OC)C

InChI

InChI=1S/C19H27F3N2O4/c1-4-5-11-24-12(2)14(16(26)28-3)18(17(24)27,19(20,21)22)23-15(25)13-9-7-6-8-10-13/h13H,4-11H2,1-3H3,(H,23,25)/t18-/m0/s1