methyl 5-tert-butyl-1-(2-methylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-1-(2-methylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate Openeye Name: methyl 5-tert-butyl-1-isobutyl-2-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate CAS Name: 5-tert-butyl-1-(2-methylpropyl)-2-[2-(trifluoromethyl)phenyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-1-(2-methylpropyl)-2-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylate Traditional Name: 5-tert-butyl-1-isobutyl-2-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxylic acid methyl ester Formula: C21H26F3NO2 MolecularWeight: 381.43185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=CC(=C1C2=CC=CC=C2C(F)(F)F)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C21H26F3NO2/c1-13(2)12-25-17(20(3,4)5)11-15(19(26)27-6)18(25)14-9-7-8-10-16(14)21(22,23)24/h7-11,13H,12H2,1-6H3