2-[3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-1H-indol-5-yl]ethanoic acid

Systemtic Name: 2-[3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-1H-indol-5-yl]ethanoic acid Openeye Name: 2-[3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-1H-indol-5-yl]acetic acid CAS Name: 2-[3-(4-aminobutyl)-2-(5-bromo-3-pyridinyl)-1H-indol-5-yl]acetic acid IUPAC Name: 2-[3-(4-aminobutyl)-2-(5-bromopyridin-3-yl)-1H-indol-5-yl]acetic acid Traditional Name: 2-[3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-1H-indol-5-yl]acetic acid Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1CC(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

InChI

InChI=1S/C19H20BrN3O2/c20-14-9-13(10-22-11-14)19-15(3-1-2-6-21)16-7-12(8-18(24)25)4-5-17(16)23-19/h4-5,7,9-11,23H,1-3,6,8,21H2,(H,24,25)