2-[2-(3-methoxy-4-phenylmethoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methoxy-4-phenylmethoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(4-benzyloxy-3-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(4-benzoxy-3-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C25H20F3NO5 MolecularWeight: 471.42521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)OC(F)(F)F)CC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H20F3NO5/c1-32-22-11-16(7-10-21(22)33-14-15-5-3-2-4-6-15)24-19(13-23(30)31)18-12-17(34-25(26,27)28)8-9-20(18)29-24/h2-12,29H,13-14H2,1H3,(H,30,31)