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

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-butan-2-yl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-butan-2-yl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-sec-butyl-1H-indol-3-yl]acetic acid Formula: C22H24BrNO3 MolecularWeight: 430.33486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C22H24BrNO3/c1-4-13(3)14-6-8-19-16(10-14)17(12-21(25)26)22(24-19)18-11-15(23)7-9-20(18)27-5-2/h6-11,13,24H,4-5,12H2,1-3H3,(H,25,26)