3-[2-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-3-phenyl-5-[4-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-methyl-3-phenyl-5-[4-(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=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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