2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-tert-butyl-1H-indol-3-yl]acetic acid Formula: C22H24BrNO4 MolecularWeight: 446.33426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H24BrNO4/c1-22(2,3)12-6-7-17-13(8-12)14(10-20(25)26)21(24-17)15-9-18(27-4)19(28-5)11-16(15)23/h6-9,11,24H,10H2,1-5H3,(H,25,26)