ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-2-oxidanylidene-ethyl)-1-methyl-5-(4-methylphenyl)carbonyl-4-(trifluoromethyl)pyrrole-3-carboxylate Openeye Name: ethyl 2-(2-ethoxy-2-oxo-ethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylate CAS Name: 2-(2-ethoxy-2-oxoethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-4-(trifluoromethyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-4-(trifluoromethyl)pyrrole-3-carboxylate Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-1-methyl-5-p-toluoyl-4-(trifluoromethyl)pyrrole-3-carboxylic acid ethyl ester Formula: C21H22F3NO5 MolecularWeight: 425.39829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)C)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)CC1=C(C(=C(N1C)C(=O)C2=CC=C(C=C2)C)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C21H22F3NO5/c1-5-29-15(26)11-14-16(20(28)30-6-2)17(21(22,23)24)18(25(14)4)19(27)13-9-7-12(3)8-10-13/h7-10H,5-6,11H2,1-4H3