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

Systemtic Name: 2-[2-(5-bromanyl-2-methoxy-phenyl)-5-(trifluoromethyloxy)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-methoxyphenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-methoxy-phenyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid Formula: C18H13BrF3NO4 MolecularWeight: 444.19933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF3NO4/c1-26-15-5-2-9(19)6-13(15)17-12(8-16(24)25)11-7-10(27-18(20,21)22)3-4-14(11)23-17/h2-7,23H,8H2,1H3,(H,24,25)