3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(4-azanylbutyl)-2-(5-bromanylquinolin-8-yl)-1H-indole-5-carboxylic acid Openeye Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-1H-indole-5-carboxylic acid CAS Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolinyl)-1H-indole-5-carboxylic acid IUPAC Name: 3-(4-aminobutyl)-2-(5-bromoquinolin-8-yl)-1H-indole-5-carboxylic acid Traditional Name: 3-(4-aminobutyl)-2-(5-bromo-8-quinolyl)-1H-indole-5-carboxylic acid Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2N=C1)C3=C(C4=C(N3)C=CC(=C4)C(=O)O)CCCCN)Br

InChI

InChI=1S/C22H20BrN3O2/c23-18-8-7-16(20-15(18)5-3-11-25-20)21-14(4-1-2-10-24)17-12-13(22(27)28)6-9-19(17)26-21/h3,5-9,11-12,26H,1-2,4,10,24H2,(H,27,28)