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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrNO4/c1-5-12(2)13-6-7-18-14(8-13)15(10-21(25)26)22(24-18)16-9-19(27-3)20(28-4)11-17(16)23/h6-9,11-12,24H,5,10H2,1-4H3,(H,25,26)