3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-methyl-5-phenyl-3-[3-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Formula: C25H18F3NO2 MolecularWeight: 421.41113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=CC=C3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H18F3NO2/c1-16-22(18-9-5-11-20(13-18)25(26,27)28)15-23(17-7-3-2-4-8-17)29(16)21-12-6-10-19(14-21)24(30)31/h2-15H,1H3,(H,30,31)