3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridinyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromopyridin-3-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-1H-indole-5-carboxylic acid Formula: C18H18BrN3O2 MolecularWeight: 388.25842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

InChI

InChI=1S/C18H18BrN3O2/c19-13-7-12(9-21-10-13)17-14(3-1-2-6-20)15-8-11(18(23)24)4-5-16(15)22-17/h4-5,7-10,22H,1-3,6,20H2,(H,23,24)