2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-ethyl-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-7-ethyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-ethyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-ethyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-7-ethyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-7-ethyl-1H-indol-3-yl]acetic acid Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCC1=CC=CC2=C1NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C20H20BrNO4/c1-4-11-6-5-7-12-13(9-18(23)24)20(22-19(11)12)14-8-16(25-2)17(26-3)10-15(14)21/h5-8,10,22H,4,9H2,1-3H3,(H,23,24)