3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-7-methyl-1H-indole-4-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylpyridin-3-yl)-7-methyl-1H-indole-4-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-7-methyl-1H-indole-4-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridinyl)-7-methyl-1H-indole-4-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromopyridin-3-yl)-7-methyl-1H-indole-4-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-3-pyridyl)-7-methyl-1H-indole-4-carboxylic acid Formula: C19H20BrN3O2 MolecularWeight: 402.285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

Isomeric SMILES

CC1=C2C(=C(C=C1)C(=O)O)C(=C(N2)C3=CC(=CN=C3)Br)CCCCN

InChI

InChI=1S/C19H20BrN3O2/c1-11-5-6-15(19(24)25)16-14(4-2-3-7-21)18(23-17(11)16)12-8-13(20)10-22-9-12/h5-6,8-10,23H,2-4,7,21H2,1H3,(H,24,25)