tert-butyl 1-cyclohexyl-4,5-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pyrrole-3-carboxylate

Systemtic Name: tert-butyl 1-cyclohexyl-4,5-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]pyrrole-3-carboxylate Openeye Name: tert-butyl 1-cyclohexyl-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pyrrole-3-carboxylate CAS Name: 1-cyclohexyl-4,5-dimethyl-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-3-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-cyclohexyl-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pyrrole-3-carboxylate Traditional Name: 1-cyclohexyl-4,5-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]pyrrole-3-carboxylic acid tert-butyl ester Formula: C19H27F3N2O3 MolecularWeight: 388.42449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C(F)(F)F)C2CCCCC2)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)OC(C)(C)C)NC(=O)C(F)(F)F)C2CCCCC2)C

InChI

InChI=1S/C19H27F3N2O3/c1-11-12(2)24(13-9-7-6-8-10-13)15(23-17(26)19(20,21)22)14(11)16(25)27-18(3,4)5/h13H,6-10H2,1-5H3,(H,23,26)