ethyl 2-[1-butyl-4-ethyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[1-butyl-4-ethyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[1-butyl-4-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetate CAS Name: 2-[1-butyl-4-ethyl-5-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-butyl-4-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetate Traditional Name: 2-[1-butyl-4-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetic acid ethyl ester Formula: C22H26F3NO3 MolecularWeight: 409.44195

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C(F)(F)F)CC)CC(=O)OCC

Isomeric SMILES

CCCCN1C(=CC(=C1C(=O)C2=CC=C(C=C2)C(F)(F)F)CC)CC(=O)OCC

InChI

InChI=1S/C22H26F3NO3/c1-4-7-12-26-18(14-19(27)29-6-3)13-15(5-2)20(26)21(28)16-8-10-17(11-9-16)22(23,24)25/h8-11,13H,4-7,12,14H2,1-3H3