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

Systemtic Name: 3-[2-methyl-5-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2-[2-benzyloxy-5-(trifluoromethyl)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid CAS Name: 3-[2-methyl-5-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2-methyl-5-[2-phenylmethoxy-5-(trifluoromethyl)phenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2-[2-benzoxy-5-(trifluoromethyl)phenyl]-5-methyl-pyrrol-1-yl]benzoic acid Formula: C26H20F3NO3 MolecularWeight: 451.43711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=C(C=CC(=C3)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO3/c1-17-10-12-23(30(17)21-9-5-8-19(14-21)25(31)32)22-15-20(26(27,28)29)11-13-24(22)33-16-18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,31,32)