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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C22H24BrNO3/c1-3-5-6-14-7-9-19-16(11-14)17(13-21(25)26)22(24-19)18-12-15(23)8-10-20(18)27-4-2/h7-12,24H,3-6,13H2,1-2H3,(H,25,26)