2-[3-bromanyl-1-ethyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoic acid

Systemtic Name: 2-[3-bromanyl-1-ethyl-5-[4-(trifluoromethyl)phenyl]carbonyl-pyrrol-2-yl]ethanoic acid Openeye Name: 2-[3-bromo-1-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetic acid CAS Name: 2-[3-bromo-1-ethyl-5-[oxo-[4-(trifluoromethyl)phenyl]methyl]-2-pyrrolyl]acetic acid IUPAC Name: 2-[3-bromo-1-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetic acid Traditional Name: 2-[3-bromo-1-ethyl-5-[4-(trifluoromethyl)benzoyl]pyrrol-2-yl]acetic acid Formula: C16H13BrF3NO3 MolecularWeight: 404.17853

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1CC(=O)O)Br)C(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCN1C(=CC(=C1CC(=O)O)Br)C(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H13BrF3NO3/c1-2-21-12(8-14(22)23)11(17)7-13(21)15(24)9-3-5-10(6-4-9)16(18,19)20/h3-7H,2,8H2,1H3,(H,22,23)