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

Systemtic Name: 2-[2-(2-bromanyl-4,5-dimethoxy-phenyl)-5-butyl-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-butyl-1H-indol-3-yl]acetic acid CAS Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-butyl-1H-indol-3-yl]acetic acid IUPAC Name: 2-[2-(2-bromo-4,5-dimethoxyphenyl)-5-butyl-1H-indol-3-yl]acetic acid Traditional Name: 2-[2-(2-bromo-4,5-dimethoxy-phenyl)-5-butyl-1H-indol-3-yl]acetic acid Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C2CC(=O)O)C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C22H24BrNO4/c1-4-5-6-13-7-8-18-14(9-13)15(11-21(25)26)22(24-18)16-10-19(27-2)20(28-3)12-17(16)23/h7-10,12,24H,4-6,11H2,1-3H3,(H,25,26)