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

Systemtic Name: 2-[2-(5-bromanyl-2-ethoxy-phenyl)-5-ethyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-ethyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(5-bromo-2-ethoxyphenyl)-5-ethyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(5-bromo-2-ethoxy-phenyl)-5-ethyl-1H-indol-3-yl]acetic acid Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=C(C=CC(=C3)Br)OCC

InChI

InChI=1S/C20H20BrNO3/c1-3-12-5-7-17-14(9-12)15(11-19(23)24)20(22-17)16-10-13(21)6-8-18(16)25-4-2/h5-10,22H,3-4,11H2,1-2H3,(H,23,24)