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

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-ethoxy-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-ethoxy-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-ethoxy-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-ethoxy-1H-indol-3-yl]acetic acid Formula: C20H20BrNO5 MolecularWeight: 434.2805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C20H20BrNO5/c1-4-27-11-5-6-16-12(7-11)13(9-19(23)24)20(22-16)14-8-17(25-2)18(26-3)10-15(14)21/h5-8,10,22H,4,9H2,1-3H3,(H,23,24)